(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C19H23N3O2 — CID 97063111

IUPAC(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cn1
InChIInChI=1S/C19H23N3O2/c1-24-10-9-22-13-15(12-20-22)21-18(23)17-11-19(17)8-4-6-14-5-2-3-7-16(14)19/h2-3,5,7,12-13,17H,4,6,8-11H2,1H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyYNKBOZFNSUMQSU-HKUYNNGSSA-N
MW325.41 g/mol
LogP2.76
Rot. Bonds5

About (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 97063111) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID97063111
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cn1
InChIInChI=1S/C19H23N3O2/c1-24-10-9-22-13-15(12-20-22)21-18(23)17-11-19(17)8-4-6-14-5-2-3-7-16(14)19/h2-3,5,7,12-13,17H,4,6,8-11H2,1H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyYNKBOZFNSUMQSU-HKUYNNGSSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812632
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 64824534
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97010008
(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
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
1-cycloheptyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylurea
CID 51085685

Frequently Asked Questions

What is the IUPAC name of (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 97063111) is (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is COCCn1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cn1.
What is the InChIKey of (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is YNKBOZFNSUMQSU-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-10-9-22-13-15(12-20-22)21-18(23)17-11-19(17)8-4-6-14-5-2-3-7-16(14)19/h2-3,5,7,12-13,17H,4,6,8-11H2,1H3,(H,21,23)/t17-,19-/m0/s1.
What are the key properties of (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 97063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).