(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide

C19H23N3O — CID 126443610

IUPAC(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCCc1ccn[nH]1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C19H23N3O/c23-17(20-12-8-16-9-13-21-22-16)19(15-6-2-1-3-7-15)14-18(19)10-4-5-11-18/h1-3,6-7,9,13H,4-5,8,10-12,14H2,(H,20,23)(H,21,22)/t19-/m1/s1
InChIKeyZMJRGQBCTLJIKT-LJQANCHMSA-N
MW309.41 g/mol
LogP2.97
Rot. Bonds5

About (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide

(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 126443610) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
PubChem CID126443610
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCCc1ccn[nH]1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C19H23N3O/c23-17(20-12-8-16-9-13-21-22-16)19(15-6-2-1-3-7-15)14-18(19)10-4-5-11-18/h1-3,6-7,9,13H,4-5,8,10-12,14H2,(H,20,23)(H,21,22)/t19-/m1/s1
InChIKeyZMJRGQBCTLJIKT-LJQANCHMSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558
2-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 119066000
(2R)-N-[3-(2-ethylimidazol-1-yl)propyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126431492
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423833
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 2832401
2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 125178570
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
CID 110731759
2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122562469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide (CID 126443610) is (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide is O=C(NCCc1ccn[nH]1)[C@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is ZMJRGQBCTLJIKT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O/c23-17(20-12-8-16-9-13-21-22-16)19(15-6-2-1-3-7-15)14-18(19)10-4-5-11-18/h1-3,6-7,9,13H,4-5,8,10-12,14H2,(H,20,23)(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide?
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 126443610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).