2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide

C17H21BrN4O2 — CID 154841568

IUPAC2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C17H21BrN4O2/c1-21(10-12-5-2-3-7-15(12)23)17(24)14-6-4-8-19-16(14)22-11-13(18)9-20-22/h4,6,8-9,11-12,15,23H,2-3,5,7,10H2,1H3
InChIKeyIPOUNWFHYVELMB-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide

2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 154841568) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID154841568
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccnc1-n1cc(Br)cn1
InChIInChI=1S/C17H21BrN4O2/c1-21(10-12-5-2-3-7-15(12)23)17(24)14-6-4-8-19-16(14)22-11-13(18)9-20-22/h4,6,8-9,11-12,15,23H,2-3,5,7,10H2,1H3
InChIKeyIPOUNWFHYVELMB-UHFFFAOYSA-N
XLogP2.65
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-pyrazol-1-ylpyridine-3-carboxamide
CID 75461699
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
CID 110003809
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
CID 109400380
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 109400475
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110003773
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide (CID 154841568) is 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide is CN(CC1CCCCC1O)C(=O)c1cccnc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is IPOUNWFHYVELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-21(10-12-5-2-3-7-15(12)23)17(24)14-6-4-8-19-16(14)22-11-13(18)9-20-22/h4,6,8-9,11-12,15,23H,2-3,5,7,10H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide?
2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 154841568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).