4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

C16H20ClN5O2 — CID 19448005

IUPAC4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O2/c1-3-8-18-15(23)14-13(10-22(4-2)21-14)20-16(24)19-12-7-5-6-11(17)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,23)(H2,19,20,24)
InChIKeyRLLRIHPACPONIC-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.34
Rot. Bonds6

About 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 19448005) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID19448005
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClN5O2/c1-3-8-18-15(23)14-13(10-22(4-2)21-14)20-16(24)19-12-7-5-6-11(17)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,23)(H2,19,20,24)
InChIKeyRLLRIHPACPONIC-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398509
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
1-(3-chlorophenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 19326785
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398499

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 19448005) is 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is RLLRIHPACPONIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-3-8-18-15(23)14-13(10-22(4-2)21-14)20-16(24)19-12-7-5-6-11(17)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,23)(H2,19,20,24).
What are the key properties of 4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 3.34, 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-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19448005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).