1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea

C14H22N6O — CID 71873802

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea
SMILESCCCC(C)c1cc(NC(=O)NCc2cnn(C)c2)n[nH]1
InChIInChI=1S/C14H22N6O/c1-4-5-10(2)12-6-13(19-18-12)17-14(21)15-7-11-8-16-20(3)9-11/h6,8-10H,4-5,7H2,1-3H3,(H3,15,17,18,19,21)
InChIKeyVAVXMVBIIWXBCU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea

1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea (PubChem CID 71873802) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea
PubChem CID71873802
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea
SMILESCCCC(C)c1cc(NC(=O)NCc2cnn(C)c2)n[nH]1
InChIInChI=1S/C14H22N6O/c1-4-5-10(2)12-6-13(19-18-12)17-14(21)15-7-11-8-16-20(3)9-11/h6,8-10H,4-5,7H2,1-3H3,(H3,15,17,18,19,21)
InChIKeyVAVXMVBIIWXBCU-UHFFFAOYSA-N
XLogP2.37
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
5-[(1-methylpyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 82848999
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879
1-(3-hydroxy-4-methylpentyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111505196
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-(4-bromo-2,6-dimethylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 47375852
4-(2-oxoimidazolidin-1-yl)-N-[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]benzamide
CID 96518937
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea (CID 71873802) is 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea is CCCC(C)c1cc(NC(=O)NCc2cnn(C)c2)n[nH]1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea?
The InChIKey is VAVXMVBIIWXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-5-10(2)12-6-13(19-18-12)17-14(21)15-7-11-8-16-20(3)9-11/h6,8-10H,4-5,7H2,1-3H3,(H3,15,17,18,19,21).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea?
1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea has a molecular weight of 290.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 71873802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).