N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide

C18H24N6O2 — CID 92634374

IUPACN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-3-24-10-7-15(22-24)18(26)23-8-4-5-14(6-9-23)21-17(25)16-12-19-13(2)11-20-16/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyLGARBKAYNAYRAC-CQSZACIVSA-N
MW356.43 g/mol
LogP1.43
Rot. Bonds4

About N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide

N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 92634374) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID92634374
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C18H24N6O2/c1-3-24-10-7-15(22-24)18(26)23-8-4-5-14(6-9-23)21-17(25)16-12-19-13(2)11-20-16/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,21,25)/t14-/m1/s1
InChIKeyLGARBKAYNAYRAC-CQSZACIVSA-N
XLogP1.43
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 92634667
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
N-[(4S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634952
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634943
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide (CID 92634374) is N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide is CCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cnc(C)cn3)CC2)n1.
What is the InChIKey of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is LGARBKAYNAYRAC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-24-10-7-15(22-24)18(26)23-8-4-5-14(6-9-23)21-17(25)16-12-19-13(2)11-20-16/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide?
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 92634374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).