1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide

C15H17ClFN3O — CID 126625269

IUPAC1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3O/c1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10/h5-9H,1-4H3
InChIKeyYXCVULGAXMHAMX-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 126625269) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID126625269
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H17ClFN3O/c1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10/h5-9H,1-4H3
InChIKeyYXCVULGAXMHAMX-UHFFFAOYSA-N
XLogP3.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Xrp44X
CID 10339779
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CID 9508026
1-(3-chlorophenyl)-4-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}piperazine
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5-tert-butyl-N-(4-chlorophenyl)-1-pentylpyrazole-3-carboxamide
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1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-3-carboxamide
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6-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
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[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 16287953
1-(3-chlorophenyl)-4-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24820097
2-(3-chlorophenyl)-3,4,6-trimethyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide (CID 126625269) is 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)C)nn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is YXCVULGAXMHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-9(2)14-8-13(15(21)19(3)4)18-20(14)10-5-6-12(17)11(16)7-10/h5-9H,1-4H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 309.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 126625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).