4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C16H19N5O2 — CID 31974410

IUPAC4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N5O2/c1-21-14(8-9-18-21)10-17-15(22)11-2-4-12(5-3-11)19-16(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,17,22)(H2,19,20,23)
InChIKeyHNFMKLWUZVFZBC-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.63
Rot. Bonds5

About 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 31974410) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID31974410
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N5O2/c1-21-14(8-9-18-21)10-17-15(22)11-2-4-12(5-3-11)19-16(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,17,22)(H2,19,20,23)
InChIKeyHNFMKLWUZVFZBC-UHFFFAOYSA-N
XLogP1.63
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 55847521
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-cyclopropyl-2-[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 119151670
4-(cyclopropylcarbamoylamino)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzamide
CID 94611653
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 31974410) is 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is HNFMKLWUZVFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21-14(8-9-18-21)10-17-15(22)11-2-4-12(5-3-11)19-16(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,17,22)(H2,19,20,23).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 31974410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).