N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C19H24F2N4O — CID 130313146

IUPACN-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CCN1CCCCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C19H24F2N4O/c20-16-6-5-7-17(21)15(16)14-25(19(26)18-8-9-22-23-18)13-12-24-10-3-1-2-4-11-24/h5-9H,1-4,10-14H2,(H,22,23)
InChIKeyFSWCQLIQQZKTLE-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 130313146) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID130313146
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CCN1CCCCCC1)Cc1c(F)cccc1F
InChIInChI=1S/C19H24F2N4O/c20-16-6-5-7-17(21)15(16)14-25(19(26)18-8-9-22-23-18)13-12-24-10-3-1-2-4-11-24/h5-9H,1-4,10-14H2,(H,22,23)
InChIKeyFSWCQLIQQZKTLE-UHFFFAOYSA-N
XLogP3.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-amino-6-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 130313334
N-[(3-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 130313326
N-[(5-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 142559789
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 130313155
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71920081
N-[(2,6-difluorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)ethyl]-2H-pyrrole-3-carboxamide
CID 159098416
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
CID 107490956
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 130313190
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 130313146) is N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(CCN1CCCCCC1)Cc1c(F)cccc1F.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FSWCQLIQQZKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c20-16-6-5-7-17(21)15(16)14-25(19(26)18-8-9-22-23-18)13-12-24-10-3-1-2-4-11-24/h5-9H,1-4,10-14H2,(H,22,23).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-[(2,6-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).