4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide

C19H21FN6O — CID 22953848

IUPAC4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2n[nH]c(-c3ccc(F)cc3)c2C2=CC=NCC2)CCN1
InChIInChI=1S/C19H21FN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-5,7,15,23H,6,8-11H2,(H2,21,27)(H,24,25)
InChIKeyQUQJEYNUWBEQSV-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.34
Rot. Bonds4

About 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide

4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide (PubChem CID 22953848) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide
PubChem CID22953848
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2n[nH]c(-c3ccc(F)cc3)c2C2=CC=NCC2)CCN1
InChIInChI=1S/C19H21FN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-5,7,15,23H,6,8-11H2,(H2,21,27)(H,24,25)
InChIKeyQUQJEYNUWBEQSV-UHFFFAOYSA-N
XLogP1.34
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760
1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
CID 23559195
4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide
CID 71165910
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
CID 22037585
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 175909632
4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide
CID 170163113
4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
CID 14230271
N-(4-fluorophenyl)-4-(5-fluoropyrimidin-2-yl)piperazine-2-carboxamide
CID 56904879
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
CID 127244523
4-iodopiperazine-2-carboxamide
CID 167254743

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The IUPAC name of 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide (CID 22953848) is 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The canonical SMILES for 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide is NC(=O)C1CN(c2n[nH]c(-c3ccc(F)cc3)c2C2=CC=NCC2)CCN1.
What is the InChIKey of 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The InChIKey is QUQJEYNUWBEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-5,7,15,23H,6,8-11H2,(H2,21,27)(H,24,25).
What are the key properties of 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide?
4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 22953848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).