N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide

C15H22ClN5O — CID 70761740

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(CCCNC(=O)c2cnn(C(C)C)c2)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-10(2)21-9-13(8-18-21)15(22)17-6-5-7-20-12(4)14(16)11(3)19-20/h8-10H,5-7H2,1-4H3,(H,17,22)
InChIKeyVTMFKAUPKGDPPB-UHFFFAOYSA-N
MW323.83 g/mol
LogP2.75
Rot. Bonds6

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70761740) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70761740
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(CCCNC(=O)c2cnn(C(C)C)c2)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-10(2)21-9-13(8-18-21)15(22)17-6-5-7-20-12(4)14(16)11(3)19-20/h8-10H,5-7H2,1-4H3,(H,17,22)
InChIKeyVTMFKAUPKGDPPB-UHFFFAOYSA-N
XLogP2.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487635
N-[3-(benzotriazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70752560
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19295428
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266245
4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19295602
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70736184
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266535

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70761740) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1nn(CCCNC(=O)c2cnn(C(C)C)c2)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VTMFKAUPKGDPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-10(2)21-9-13(8-18-21)15(22)17-6-5-7-20-12(4)14(16)11(3)19-20/h8-10H,5-7H2,1-4H3,(H,17,22).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 323.83 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70761740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).