N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

C24H32FN5O2 — CID 92637592

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C24H32FN5O2/c1-28-17-21(24(32)26-16-19-4-6-20(25)7-5-19)22(27-28)15-18-8-11-29(12-9-18)13-14-30-10-2-3-23(30)31/h4-7,17-18H,2-3,8-16H2,1H3,(H,26,32)
InChIKeyBKQYFWSSYYSZQW-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.37
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92637592) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92637592
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C24H32FN5O2/c1-28-17-21(24(32)26-16-19-4-6-20(25)7-5-19)22(27-28)15-18-8-11-29(12-9-18)13-14-30-10-2-3-23(30)31/h4-7,17-18H,2-3,8-16H2,1H3,(H,26,32)
InChIKeyBKQYFWSSYYSZQW-UHFFFAOYSA-N
XLogP2.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 92637469
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92637592) is N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is BKQYFWSSYYSZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-28-17-21(24(32)26-16-19-4-6-20(25)7-5-19)22(27-28)15-18-8-11-29(12-9-18)13-14-30-10-2-3-23(30)31/h4-7,17-18H,2-3,8-16H2,1H3,(H,26,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92637592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).