1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea

C8H12N4O — CID 115576603

IUPAC1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-5-4-7(11-12)10-8(13)9-6-2-3-6/h4-6H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeyGOFPOIMEOFHWEP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.70
Rot. Bonds2

About 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea

1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea (PubChem CID 115576603) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
PubChem CID115576603
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2CC2)n1
InChIInChI=1S/C8H12N4O/c1-12-5-4-7(11-12)10-8(13)9-6-2-3-6/h4-6H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeyGOFPOIMEOFHWEP-UHFFFAOYSA-N
XLogP0.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-cyclopropyl-3-[(1-methylpyrazol-3-yl)amino]propanamide
CID 79778658
N-cyclopropyl-4-[(E)-3-[(1-methylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]benzamide
CID 35747688
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66250154
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea (CID 115576603) is 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is GOFPOIMEOFHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-5-4-7(11-12)10-8(13)9-6-2-3-6/h4-6H,2-3H2,1H3,(H2,9,10,11,13).
What are the key properties of 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea?
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 180.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 115576603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).