2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide

C16H20ClN5O2 — CID 49279405

IUPAC2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C16H20ClN5O2/c1-11(2)9-18-14(23)10-19-16(24)21-13-6-3-5-12(17)15(13)22-8-4-7-20-22/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H2,19,21,24)
InChIKeyHQYSUMVJYRMKIO-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.42
Rot. Bonds6

About 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide

2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 49279405) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID49279405
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C16H20ClN5O2/c1-11(2)9-18-14(23)10-19-16(24)21-13-6-3-5-12(17)15(13)22-8-4-7-20-22/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H2,19,21,24)
InChIKeyHQYSUMVJYRMKIO-UHFFFAOYSA-N
XLogP2.42
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylpropyl)-3-(2-pyrazol-1-ylphenyl)urea
CID 47040895
1-(3-Chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
CID 51085499
2-[4-[[1-(4-Chlorophenyl)-2-methylpropyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 53516903
4-(3-chlorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56761915
4-(4-chlorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56763155
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 56782238
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 56782466
3-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 56814570
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864259
1-[1-(2-Chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 71870393
2-[[(3-Chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71908247
3-[(4-chloro-2-pyrrol-1-ylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 71980677

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide (CID 49279405) is 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is HQYSUMVJYRMKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-11(2)9-18-14(23)10-19-16(24)21-13-6-3-5-12(17)15(13)22-8-4-7-20-22/h3-8,11H,9-10H2,1-2H3,(H,18,23)(H2,19,21,24).
What are the key properties of 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 49279405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).