4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C17H22ClN5O2 — CID 19448033

IUPAC4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H22ClN5O2/c1-4-23-10-14(15(22-23)16(24)19-9-11(2)3)21-17(25)20-13-7-5-6-12(18)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,19,24)(H2,20,21,25)
InChIKeyRXRVFIWNDANGMI-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.59
Rot. Bonds6

About 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19448033) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19448033
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H22ClN5O2/c1-4-23-10-14(15(22-23)16(24)19-9-11(2)3)21-17(25)20-13-7-5-6-12(18)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,19,24)(H2,20,21,25)
InChIKeyRXRVFIWNDANGMI-UHFFFAOYSA-N
XLogP3.59
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402566
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402528
4-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19280369
1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514042
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19584135
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19448033) is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is RXRVFIWNDANGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-4-23-10-14(15(22-23)16(24)19-9-11(2)3)21-17(25)20-13-7-5-6-12(18)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,19,24)(H2,20,21,25).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19448033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).