N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C22H25N5O — CID 47043334

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-14-19(25-26-20)18-8-4-3-5-9-18)24-16-17-10-11-21(23-15-17)27-12-6-1-2-7-13-27/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2,(H,24,28)(H,25,26)
InChIKeyQRAFZAJGOHFFJD-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.78
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 47043334) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID47043334
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H25N5O/c28-22(20-14-19(25-26-20)18-8-4-3-5-9-18)24-16-17-10-11-21(23-15-17)27-12-6-1-2-7-13-27/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2,(H,24,28)(H,25,26)
InChIKeyQRAFZAJGOHFFJD-UHFFFAOYSA-N
XLogP3.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 51317105
N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
CID 166232226
4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 37481765
3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47049399
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
3-(3-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47027158
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 47043334) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is QRAFZAJGOHFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-22(20-14-19(25-26-20)18-8-4-3-5-9-18)24-16-17-10-11-21(23-15-17)27-12-6-1-2-7-13-27/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2,(H,24,28)(H,25,26).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47043334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).