(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide

C20H24N6O2 — CID 98324301

IUPAC(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCCO[C@@H](Cn3cccn3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C20H24N6O2/c1-16-13-19(26(23-16)17-7-3-2-4-8-17)22-20(27)24-10-6-12-28-18(14-24)15-25-11-5-9-21-25/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyVESZCSHGOAVPMM-GOSISDBHSA-N
MW380.45 g/mol
LogP2.70
Rot. Bonds4

About (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide

(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide (PubChem CID 98324301) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide
PubChem CID98324301
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCCO[C@@H](Cn3cccn3)C2)n(-c2ccccc2)n1
InChIInChI=1S/C20H24N6O2/c1-16-13-19(26(23-16)17-7-3-2-4-8-17)22-20(27)24-10-6-12-28-18(14-24)15-25-11-5-9-21-25/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyVESZCSHGOAVPMM-GOSISDBHSA-N
XLogP2.70
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126442055
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
2-indazol-1-yl-1-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 86285054
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757
2-[(2R)-2-methylmorpholin-4-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 31520086
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4881000
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126446370
4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-2H-phthalazin-1-one
CID 77098456
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
(2,6-dimethoxy-3-pyridinyl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99991440
[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 99982136

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide (CID 98324301) is (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide is Cc1cc(NC(=O)N2CCCO[C@@H](Cn3cccn3)C2)n(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is VESZCSHGOAVPMM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-16-13-19(26(23-16)17-7-3-2-4-8-17)22-20(27)24-10-6-12-28-18(14-24)15-25-11-5-9-21-25/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,22,27)/t18-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide?
(2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-2-phenylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 98324301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).