1-butyl-3-(1-methylpyrazol-4-yl)urea

C9H16N4O — CID 115581879

IUPAC1-butyl-3-(1-methylpyrazol-4-yl)urea
SMILESCCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-3-4-5-10-9(14)12-8-6-11-13(2)7-8/h6-7H,3-5H2,1-2H3,(H2,10,12,14)
InChIKeyHNPWPCGCXRTTGW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds4

About 1-butyl-3-(1-methylpyrazol-4-yl)urea

1-butyl-3-(1-methylpyrazol-4-yl)urea (PubChem CID 115581879) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-butyl-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-methylpyrazol-4-yl)urea
PubChem CID115581879
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-butyl-3-(1-methylpyrazol-4-yl)urea
SMILESCCCCNC(=O)Nc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-3-4-5-10-9(14)12-8-6-11-13(2)7-8/h6-7H,3-5H2,1-2H3,(H2,10,12,14)
InChIKeyHNPWPCGCXRTTGW-UHFFFAOYSA-N
XLogP1.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
1-[2-(3-ethoxycyclobutyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 99833385
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
3-hydroxy-3-methyl-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 66000811
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
2-ethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 79804393
1-[3-(hydroxymethyl)pentan-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 111925907

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-butyl-3-(1-methylpyrazol-4-yl)urea (CID 115581879) is 1-butyl-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-butyl-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-butyl-3-(1-methylpyrazol-4-yl)urea is CCCCNC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-butyl-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is HNPWPCGCXRTTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-5-10-9(14)12-8-6-11-13(2)7-8/h6-7H,3-5H2,1-2H3,(H2,10,12,14).
What are the key properties of 1-butyl-3-(1-methylpyrazol-4-yl)urea?
1-butyl-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 196.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 115581879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).