1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea

C19H29N7O2 — CID 125447956

IUPAC1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2)c1cnn(C)c1
InChIInChI=1S/C19H29N7O2/c1-5-17(14-9-21-24(4)11-14)22-19(28)20-10-15-8-16-12-25(18(27)13(2)3)6-7-26(16)23-15/h8-9,11,13,17H,5-7,10,12H2,1-4H3,(H2,20,22,28)/t17-/m0/s1
InChIKeyXRMSVPXGIPIRKF-KRWDZBQOSA-N
MW387.49 g/mol
LogP1.57
Rot. Bonds6

About 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea

1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 125447956) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID125447956
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2)c1cnn(C)c1
InChIInChI=1S/C19H29N7O2/c1-5-17(14-9-21-24(4)11-14)22-19(28)20-10-15-8-16-12-25(18(27)13(2)3)6-7-26(16)23-15/h8-9,11,13,17H,5-7,10,12H2,1-4H3,(H2,20,22,28)/t17-/m0/s1
InChIKeyXRMSVPXGIPIRKF-KRWDZBQOSA-N
XLogP1.57
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea with MolForge

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Related Compounds

N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]thiomorpholine-4-carboxamide
CID 122562948
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 122566386
1-[(2R)-butan-2-yl]-3-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 96580555
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118773964
1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-(1-oxaspiro[4.5]decan-3-yl)urea
CID 122556206
1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide
CID 118775367
2-ethoxy-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 118780463
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
1-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 70777129
4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 121496207
7-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 118764235

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea (CID 125447956) is 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea is CC[C@H](NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2)c1cnn(C)c1.
What is the InChIKey of 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is XRMSVPXGIPIRKF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-5-17(14-9-21-24(4)11-14)22-19(28)20-10-15-8-16-12-25(18(27)13(2)3)6-7-26(16)23-15/h8-9,11,13,17H,5-7,10,12H2,1-4H3,(H2,20,22,28)/t17-/m0/s1.
What are the key properties of 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 387.49 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 125447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).