(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide

C16H25N3O2 — CID 136586240

IUPAC(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide
SMILESCOCCc1cc(NC(=O)C2CC[C@@H]3C[C@@H]3CC2)n(C)n1
InChIInChI=1S/C16H25N3O2/c1-19-15(10-14(18-19)7-8-21-2)17-16(20)11-3-5-12-9-13(12)6-4-11/h10-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13+
InChIKeyITGCNRBFLBTWNF-YHWZYXNKSA-N
MW291.39 g/mol
LogP2.37
Rot. Bonds5

About (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide

(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide (PubChem CID 136586240) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide.

Molecular Properties

Compound Name(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide
PubChem CID136586240
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide
SMILESCOCCc1cc(NC(=O)C2CC[C@@H]3C[C@@H]3CC2)n(C)n1
InChIInChI=1S/C16H25N3O2/c1-19-15(10-14(18-19)7-8-21-2)17-16(20)11-3-5-12-9-13(12)6-4-11/h10-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13+
InChIKeyITGCNRBFLBTWNF-YHWZYXNKSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide with MolForge

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Related Compounds

(2R,4aR,8aS)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777228
1-benzyl-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]piperidine-3-carboxamide
CID 136515951
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 138053865
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 154798138
1-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
CID 126784049
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]urea
CID 91649369
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide?
The IUPAC name of (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide (CID 136586240) is (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide.
What is the SMILES notation for (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide?
The canonical SMILES for (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide is COCCc1cc(NC(=O)C2CC[C@@H]3C[C@@H]3CC2)n(C)n1.
What is the InChIKey of (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide?
The InChIKey is ITGCNRBFLBTWNF-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-15(10-14(18-19)7-8-21-2)17-16(20)11-3-5-12-9-13(12)6-4-11/h10-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13+.
What are the key properties of (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide?
(1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]bicyclo[5.1.0]octane-4-carboxamide is sourced from PubChem (CID 136586240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).