N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C23H35N5O — CID 126790216

IUPACN-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccccn2)C2CCCNCC2)nn1C(C)(C)C
InChIInChI=1S/C23H35N5O/c1-17(2)21-15-20(26-28(21)23(3,4)5)22(29)27(16-18-9-6-7-13-25-18)19-10-8-12-24-14-11-19/h6-7,9,13,15,17,19,24H,8,10-12,14,16H2,1-5H3
InChIKeyHGZCILGZFHJZIC-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.94
Rot. Bonds5

About N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 126790216) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID126790216
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC NameN-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccccn2)C2CCCNCC2)nn1C(C)(C)C
InChIInChI=1S/C23H35N5O/c1-17(2)21-15-20(26-28(21)23(3,4)5)22(29)27(16-18-9-6-7-13-25-18)19-10-8-12-24-14-11-19/h6-7,9,13,15,17,19,24H,8,10-12,14,16H2,1-5H3
InChIKeyHGZCILGZFHJZIC-UHFFFAOYSA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069
(2S)-N-[(4S)-azepan-4-yl]-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129399057

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 126790216) is N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(Cc2ccccn2)C2CCCNCC2)nn1C(C)(C)C.
What is the InChIKey of N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is HGZCILGZFHJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-17(2)21-15-20(26-28(21)23(3,4)5)22(29)27(16-18-9-6-7-13-25-18)19-10-8-12-24-14-11-19/h6-7,9,13,15,17,19,24H,8,10-12,14,16H2,1-5H3.
What are the key properties of N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 126790216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).