(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone

C17H19N7O2 — CID 157017306

IUPAC(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CCOC(c2nnnn2C)C1
InChIInChI=1S/C17H19N7O2/c1-11-14(15(19-18-11)12-6-4-3-5-7-12)17(25)24-8-9-26-13(10-24)16-20-21-22-23(16)2/h3-7,13H,8-10H2,1-2H3,(H,18,19)
InChIKeyKUVXBPQPZIAYLS-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.12
Rot. Bonds3

About (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone

(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 157017306) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
PubChem CID157017306
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CCOC(c2nnnn2C)C1
InChIInChI=1S/C17H19N7O2/c1-11-14(15(19-18-11)12-6-4-3-5-7-12)17(25)24-8-9-26-13(10-24)16-20-21-22-23(16)2/h3-7,13H,8-10H2,1-2H3,(H,18,19)
InChIKeyKUVXBPQPZIAYLS-UHFFFAOYSA-N
XLogP1.12
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 165427977
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 163309470
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
CID 157014401
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157016662
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157012991
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610763

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone (CID 157017306) is (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone is Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCOC(c2nnnn2C)C1.
What is the InChIKey of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is KUVXBPQPZIAYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-11-14(15(19-18-11)12-6-4-3-5-7-12)17(25)24-8-9-26-13(10-24)16-20-21-22-23(16)2/h3-7,13H,8-10H2,1-2H3,(H,18,19).
What are the key properties of (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone?
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 353.39 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 157017306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).