2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C15H18ClN5O2 — CID 71908247

IUPAC2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CNC(=O)Nc2cccc(Cl)c2)C(N)=O)cn1
InChIInChI=1S/C15H18ClN5O2/c1-21-9-10(7-19-21)5-11(14(17)22)8-18-15(23)20-13-4-2-3-12(16)6-13/h2-4,6-7,9,11H,5,8H2,1H3,(H2,17,22)(H2,18,20,23)
InChIKeyKRWVFGQYLHMMLH-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.54
Rot. Bonds6

About 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71908247) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71908247
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CNC(=O)Nc2cccc(Cl)c2)C(N)=O)cn1
InChIInChI=1S/C15H18ClN5O2/c1-21-9-10(7-19-21)5-11(14(17)22)8-18-15(23)20-13-4-2-3-12(16)6-13/h2-4,6-7,9,11H,5,8H2,1H3,(H2,17,22)(H2,18,20,23)
InChIKeyKRWVFGQYLHMMLH-UHFFFAOYSA-N
XLogP1.54
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3-chlorophenyl)-2-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide
CID 842961
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-(3-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16194290
N-(3-chloro-4-methylphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026436
1-[2-(4-chlorophenyl)ethyl]-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24819393
US10710967, Example 51
CID 155883275
US10710967, Example 130
CID 155883352
US10710967, Example 131
CID 155883353
1-[(4-chlorophenyl)methyl]-N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24793162
N-(2-chlorophenyl)-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26328592

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 71908247) is 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CC(CNC(=O)Nc2cccc(Cl)c2)C(N)=O)cn1.
What is the InChIKey of 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is KRWVFGQYLHMMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-21-9-10(7-19-21)5-11(14(17)22)8-18-15(23)20-13-4-2-3-12(16)6-13/h2-4,6-7,9,11H,5,8H2,1H3,(H2,17,22)(H2,18,20,23).
What are the key properties of 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 335.80 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).