4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C15H18ClN5O2 — CID 19449734

IUPAC4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N(C)C
InChIInChI=1S/C15H18ClN5O2/c1-4-21-13(14(22)20(2)3)12(9-17-21)19-15(23)18-11-7-5-6-10(16)8-11/h5-9H,4H2,1-3H3,(H2,18,19,23)
InChIKeyYXYPBLVTYTVEEE-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.90
Rot. Bonds4

About 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19449734) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19449734
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N(C)C
InChIInChI=1S/C15H18ClN5O2/c1-4-21-13(14(22)20(2)3)12(9-17-21)19-15(23)18-11-7-5-6-10(16)8-11/h5-9H,4H2,1-3H3,(H2,18,19,23)
InChIKeyYXYPBLVTYTVEEE-UHFFFAOYSA-N
XLogP2.90
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19538045
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19449734) is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N(C)C.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is YXYPBLVTYTVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-4-21-13(14(22)20(2)3)12(9-17-21)19-15(23)18-11-7-5-6-10(16)8-11/h5-9H,4H2,1-3H3,(H2,18,19,23).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19449734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).