N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide

C18H17FN4O — CID 122143963

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cnn(-c2cccnc2)c1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O/c1-18(2,14-5-3-6-15(19)9-14)22-17(24)13-10-21-23(12-13)16-7-4-8-20-11-16/h3-12H,1-2H3,(H,22,24)
InChIKeyDGQPOZRQFKDPDY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide

N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 122143963) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID122143963
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cnn(-c2cccnc2)c1)c1cccc(F)c1
InChIInChI=1S/C18H17FN4O/c1-18(2,14-5-3-6-15(19)9-14)22-17(24)13-10-21-23(12-13)16-7-4-8-20-11-16/h3-12H,1-2H3,(H,22,24)
InChIKeyDGQPOZRQFKDPDY-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 154843795
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 1-pyridin-3-ylpyrazole-4-carboxylate
CID 99799842
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270531
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 122143963) is N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide is CC(C)(NC(=O)c1cnn(-c2cccnc2)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is DGQPOZRQFKDPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-18(2,14-5-3-6-15(19)9-14)22-17(24)13-10-21-23(12-13)16-7-4-8-20-11-16/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 122143963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).