5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride

C21H24Cl2FN5O — CID 154898433

IUPAC5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1cn[nH]c1-c1cccc(F)c1)N(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C21H22FN5O.2ClH/c22-17-5-1-4-16(11-17)20-19(13-25-26-20)21(28)27(18-6-9-23-10-7-18)14-15-3-2-8-24-12-15;;/h1-5,8,11-13,18,23H,6-7,9-10,14H2,(H,25,26);2*1H
InChIKeyCMJMPQXSLBEYJL-UHFFFAOYSA-N
MW452.36 g/mol
LogP3.85
Rot. Bonds5

About 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride

5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride (PubChem CID 154898433) has the molecular formula C21H24Cl2FN5O and a molecular weight of 452.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
PubChem CID154898433
Molecular FormulaC21H24Cl2FN5O
Molecular Weight452.36 g/mol
Exact Mass451.13
IUPAC Name5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1cn[nH]c1-c1cccc(F)c1)N(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C21H22FN5O.2ClH/c22-17-5-1-4-16(11-17)20-19(13-25-26-20)21(28)27(18-6-9-23-10-7-18)14-15-3-2-8-24-12-15;;/h1-5,8,11-13,18,23H,6-7,9-10,14H2,(H,25,26);2*1H
InChIKeyCMJMPQXSLBEYJL-UHFFFAOYSA-N
XLogP3.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715
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CID 110753074
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154897067
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119552969
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119554451

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride (CID 154898433) is 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(c1cn[nH]c1-c1cccc(F)c1)N(Cc1cccnc1)C1CCNCC1.
What is the InChIKey of 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride?
The InChIKey is CMJMPQXSLBEYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.2ClH/c22-17-5-1-4-16(11-17)20-19(13-25-26-20)21(28)27(18-6-9-23-10-7-18)14-15-3-2-8-24-12-15;;/h1-5,8,11-13,18,23H,6-7,9-10,14H2,(H,25,26);2*1H.
What are the key properties of 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride?
5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride has a molecular weight of 452.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154898433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).