N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C24H29FN4OS — CID 25286650

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)CC3CCN(CCc4ccc(F)cc4)CC3)n[nH]2)s1
InChIInChI=1S/C24H29FN4OS/c1-17-3-8-23(31-17)21-15-22(27-26-21)24(30)28(2)16-19-10-13-29(14-11-19)12-9-18-4-6-20(25)7-5-18/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,27)
InChIKeyGKPQSCMLPJRUQU-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.61
Rot. Bonds7

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 25286650) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID25286650
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)CC3CCN(CCc4ccc(F)cc4)CC3)n[nH]2)s1
InChIInChI=1S/C24H29FN4OS/c1-17-3-8-23(31-17)21-15-22(27-26-21)24(30)28(2)16-19-10-13-29(14-11-19)12-9-18-4-6-20(25)7-5-18/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,27)
InChIKeyGKPQSCMLPJRUQU-UHFFFAOYSA-N
XLogP4.61
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 42528622
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 39628059
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
2-(cyclohexen-1-yl)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 25384161
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 42557349
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 72869126
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
N-[[4-(dimethylamino)cyclohexyl]methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 163313738
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 25286650) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)CC3CCN(CCc4ccc(F)cc4)CC3)n[nH]2)s1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is GKPQSCMLPJRUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c1-17-3-8-23(31-17)21-15-22(27-26-21)24(30)28(2)16-19-10-13-29(14-11-19)12-9-18-4-6-20(25)7-5-18/h3-8,15,19H,9-14,16H2,1-2H3,(H,26,27).
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25286650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).