N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

C19H18FN5O — CID 91888073

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1
InChIInChI=1S/C19H18FN5O/c20-15-3-1-13(2-4-15)17-11-18(24-23-17)25-10-7-16(12-25)22-19(26)14-5-8-21-9-6-14/h1-6,8-9,11,16H,7,10,12H2,(H,22,26)(H,23,24)
InChIKeyYFOWOXYRDWXXNT-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.62
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 91888073) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID91888073
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1
InChIInChI=1S/C19H18FN5O/c20-15-3-1-13(2-4-15)17-11-18(24-23-17)25-10-7-16(12-25)22-19(26)14-5-8-21-9-6-14/h1-6,8-9,11,16H,7,10,12H2,(H,22,26)(H,23,24)
InChIKeyYFOWOXYRDWXXNT-UHFFFAOYSA-N
XLogP2.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
N-cyclohexyl-1-(2,4-difluorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768480
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425
N-Cyclopentyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482293
N-Cycloheptyl-1-(2,4-difluorophenyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 45482298
N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-3-carboxamide
CID 9974591
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11681507
2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11716968
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 91888073) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is YFOWOXYRDWXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-3-1-13(2-4-15)17-11-18(24-23-17)25-10-7-16(12-25)22-19(26)14-5-8-21-9-6-14/h1-6,8-9,11,16H,7,10,12H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91888073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).