(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C19H23N3O2 — CID 97065291

IUPAC(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(C)nn1C
InChIInChI=1S/C19H23N3O2/c1-12-16(18(24-3)22(2)21-12)20-17(23)15-11-19(15)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,20,23)/t15-,19-/m1/s1
InChIKeyCQLMUJZPYBLELN-DNVCBOLYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds3

About (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 97065291) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID97065291
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(C)nn1C
InChIInChI=1S/C19H23N3O2/c1-12-16(18(24-3)22(2)21-12)20-17(23)15-11-19(15)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,20,23)/t15-,19-/m1/s1
InChIKeyCQLMUJZPYBLELN-DNVCBOLYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97063111
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812632
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'R,4S)-N-[2-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 124882366
N-(3-amino-4-methoxyphenyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119419726
(1'S,4R)-N-[(1S,2R)-2-carbamoylcyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 124780671
(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97061520
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
N-piperidin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119427333
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115

Frequently Asked Questions

What is the IUPAC name of (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 97065291) is (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is COc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(C)nn1C.
What is the InChIKey of (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is CQLMUJZPYBLELN-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-16(18(24-3)22(2)21-12)20-17(23)15-11-19(15)10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9,15H,6,8,10-11H2,1-3H3,(H,20,23)/t15-,19-/m1/s1.
What are the key properties of (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4S)-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 97065291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).