4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H17N5O2 — CID 115592993

IUPAC4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(NC(N)=O)cc2)n[nH]1
InChIInChI=1S/C14H17N5O2/c1-8(2)11-7-12(19-18-11)17-13(20)9-3-5-10(6-4-9)16-14(15)21/h3-8H,1-2H3,(H3,15,16,21)(H2,17,18,19,20)
InChIKeyPBWFEDHFKJERFK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds4

About 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 115592993) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID115592993
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(NC(N)=O)cc2)n[nH]1
InChIInChI=1S/C14H17N5O2/c1-8(2)11-7-12(19-18-11)17-13(20)9-3-5-10(6-4-9)16-14(15)21/h3-8H,1-2H3,(H3,15,16,21)(H2,17,18,19,20)
InChIKeyPBWFEDHFKJERFK-UHFFFAOYSA-N
XLogP2.28
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104618381
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 115592993) is 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2ccc(NC(N)=O)cc2)n[nH]1.
What is the InChIKey of 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PBWFEDHFKJERFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8(2)11-7-12(19-18-11)17-13(20)9-3-5-10(6-4-9)16-14(15)21/h3-8H,1-2H3,(H3,15,16,21)(H2,17,18,19,20).
What are the key properties of 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115592993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).