(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide

C22H27N3O — CID 126433749

IUPAC(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCC1(Cn2cccn2)CC1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C22H27N3O/c26-19(23-16-20(11-12-20)17-25-14-6-13-24-25)22(18-7-2-1-3-8-18)15-21(22)9-4-5-10-21/h1-3,6-8,13-14H,4-5,9-12,15-17H2,(H,23,26)/t22-/m1/s1
InChIKeyKRLLBTGOQLGGKY-JOCHJYFZSA-N
MW349.48 g/mol
LogP3.68
Rot. Bonds6

About (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide

(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 126433749) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
PubChem CID126433749
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCC1(Cn2cccn2)CC1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C22H27N3O/c26-19(23-16-20(11-12-20)17-25-14-6-13-24-25)22(18-7-2-1-3-8-18)15-21(22)9-4-5-10-21/h1-3,6-8,13-14H,4-5,9-12,15-17H2,(H,23,26)/t22-/m1/s1
InChIKeyKRLLBTGOQLGGKY-JOCHJYFZSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 125435454
(2R)-N-[3-(2-ethylimidazol-1-yl)propyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126431492
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide (CID 126433749) is (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide is O=C(NCC1(Cn2cccn2)CC1)[C@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is KRLLBTGOQLGGKY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O/c26-19(23-16-20(11-12-20)17-25-14-6-13-24-25)22(18-7-2-1-3-8-18)15-21(22)9-4-5-10-21/h1-3,6-8,13-14H,4-5,9-12,15-17H2,(H,23,26)/t22-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide?
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 126433749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).