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

C18H26N6O2S — CID 122566386

IUPAC1-[(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
SMILESCCc1csc(CNC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1
InChIInChI=1S/C18H26N6O2S/c1-4-13-11-27-16(21-13)9-20-18(26)19-8-14-7-15-10-23(17(25)12(2)3)5-6-24(15)22-14/h7,11-12H,4-6,8-10H2,1-3H3,(H2,19,20,26)
InChIKeyMHGVJBUZJQIWJM-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.90
Rot. Bonds6

About 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

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 (PubChem CID 122566386) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID122566386
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name1-[(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
SMILESCCc1csc(CNC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1
InChIInChI=1S/C18H26N6O2S/c1-4-13-11-27-16(21-13)9-20-18(26)19-8-14-7-15-10-23(17(25)12(2)3)5-6-24(15)22-14/h7,11-12H,4-6,8-10H2,1-3H3,(H2,19,20,26)
InChIKeyMHGVJBUZJQIWJM-UHFFFAOYSA-N
XLogP1.90
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
CID 125447956
4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118776714
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
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
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
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 121496207
4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1csc(CNC(=O)NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1.
What is the InChIKey of 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?
The InChIKey is MHGVJBUZJQIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-4-13-11-27-16(21-13)9-20-18(26)19-8-14-7-15-10-23(17(25)12(2)3)5-6-24(15)22-14/h7,11-12H,4-6,8-10H2,1-3H3,(H2,19,20,26).
What are the key properties of 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?
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 has a molecular weight of 390.51 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122566386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).