1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

C14H18N4O — CID 103720486

IUPAC1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10(2)12-8-13(18-17-12)16-14(19)15-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyLSPOZJPNSGIXMK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds4

About 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (PubChem CID 103720486) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
PubChem CID103720486
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)NCc2ccccc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-10(2)12-8-13(18-17-12)16-14(19)15-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyLSPOZJPNSGIXMK-UHFFFAOYSA-N
XLogP2.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-(3-hydroxyphenyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 112688408
(E)-3-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619831
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[(1-methylpyrazol-4-yl)methyl]-3-(5-pentan-2-yl-1H-pyrazol-3-yl)urea
CID 71873802
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]benzoic acid
CID 67625460
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (CID 103720486) is 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is CC(C)c1cc(NC(=O)NCc2ccccc2)n[nH]1.
What is the InChIKey of 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The InChIKey is LSPOZJPNSGIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)12-8-13(18-17-12)16-14(19)15-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 103720486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).