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

C20H27FN4O — CID 42528622

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C20H27FN4O/c1-15-12-19(23-22-15)20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)13-16/h3-5,12-13,17H,6-11,14H2,1-2H3,(H,22,23)
InChIKeyKMMAZGWSWMVUCM-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.88
Rot. Bonds6

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

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 42528622) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID42528622
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n[nH]1
InChIInChI=1S/C20H27FN4O/c1-15-12-19(23-22-15)20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)13-16/h3-5,12-13,17H,6-11,14H2,1-2H3,(H,22,23)
InChIKeyKMMAZGWSWMVUCM-UHFFFAOYSA-N
XLogP2.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 25286650
(2R)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,1-dimethylpiperidine-2-carboxamide
CID 42403620
1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
CID 72922458
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
(E)-but-2-enedioic acid;N-(3-fluorophenyl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]propanamide
CID 160990544
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
CID 10138576
5-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 25303878

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 42528622) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n[nH]1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is KMMAZGWSWMVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-15-12-19(23-22-15)20(26)24(2)14-17-7-10-25(11-8-17)9-6-16-4-3-5-18(21)13-16/h3-5,12-13,17H,6-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42528622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).