(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C19H23N7O — CID 125155795

IUPAC(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CCCCn3nnnc32)cn1
InChIInChI=1S/C19H23N7O/c1-14-7-3-4-9-17(14)26-13-15(11-20-26)12-24(2)19(27)16-8-5-6-10-25-18(16)21-22-23-25/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3/t16-/m0/s1
InChIKeyGRPJSPSXCFZKDY-INIZCTEOSA-N
MW365.44 g/mol
LogP2.09
Rot. Bonds4

About (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 125155795) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound Name(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID125155795
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CCCCn3nnnc32)cn1
InChIInChI=1S/C19H23N7O/c1-14-7-3-4-9-17(14)26-13-15(11-20-26)12-24(2)19(27)16-8-5-6-10-25-18(16)21-22-23-25/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3/t16-/m0/s1
InChIKeyGRPJSPSXCFZKDY-INIZCTEOSA-N
XLogP2.09
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide with MolForge

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Related Compounds

(9R)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165463
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
(9R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176421
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 46987532
(9S)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125178038
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896932
6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 129488432
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72861011
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397

Frequently Asked Questions

What is the IUPAC name of (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 125155795) is (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CCCCn3nnnc32)cn1.
What is the InChIKey of (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is GRPJSPSXCFZKDY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-7-3-4-9-17(14)26-13-15(11-20-26)12-24(2)19(27)16-8-5-6-10-25-18(16)21-22-23-25/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 125155795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).