N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C23H25F2N5O — CID 55949549

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C23H25F2N5O/c1-2-21-18(14-27-30(21)22-5-3-4-10-26-22)23(31)28-17-8-11-29(12-9-17)15-16-6-7-19(24)20(25)13-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3,(H,28,31)
InChIKeyIACVSWZDJOIAGM-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.50
Rot. Bonds6

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55949549) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55949549
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccccn1
InChIInChI=1S/C23H25F2N5O/c1-2-21-18(14-27-30(21)22-5-3-4-10-26-22)23(31)28-17-8-11-29(12-9-17)15-16-6-7-19(24)20(25)13-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3,(H,28,31)
InChIKeyIACVSWZDJOIAGM-UHFFFAOYSA-N
XLogP3.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55721497
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55946015
5-ethyl-N-(2-methylpiperidin-3-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 120575667
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55831374
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39040319

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55949549) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cnn1-c1ccccn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is IACVSWZDJOIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c1-2-21-18(14-27-30(21)22-5-3-4-10-26-22)23(31)28-17-8-11-29(12-9-17)15-16-6-7-19(24)20(25)13-16/h3-7,10,13-14,17H,2,8-9,11-12,15H2,1H3,(H,28,31).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55949549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).