1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

C17H22N6O2 — CID 138025781

IUPAC1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(C)C(NC(=O)Nc1cn(C)nc1-c1ccco1)c1cnn(C)c1
InChIInChI=1S/C17H22N6O2/c1-11(2)15(12-8-18-22(3)9-12)20-17(24)19-13-10-23(4)21-16(13)14-6-5-7-25-14/h5-11,15H,1-4H3,(H2,19,20,24)
InChIKeyLJFWYBKDBASGHK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds5

About 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea

1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 138025781) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID138025781
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(C)C(NC(=O)Nc1cn(C)nc1-c1ccco1)c1cnn(C)c1
InChIInChI=1S/C17H22N6O2/c1-11(2)15(12-8-18-22(3)9-12)20-17(24)19-13-10-23(4)21-16(13)14-6-5-7-25-14/h5-11,15H,1-4H3,(H2,19,20,24)
InChIKeyLJFWYBKDBASGHK-UHFFFAOYSA-N
XLogP2.93
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 164636891
1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138027918
2-(1,3-dimethylpyrazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide
CID 136555314
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138025708
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147163
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea (CID 138025781) is 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is CC(C)C(NC(=O)Nc1cn(C)nc1-c1ccco1)c1cnn(C)c1.
What is the InChIKey of 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is LJFWYBKDBASGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(2)15(12-8-18-22(3)9-12)20-17(24)19-13-10-23(4)21-16(13)14-6-5-7-25-14/h5-11,15H,1-4H3,(H2,19,20,24).
What are the key properties of 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea?
1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 342.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-1-methylpyrazol-4-yl]-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 138025781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).