N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

C20H25N3O — CID 119062704

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NCc3cc(C4CC4)n[nH]3)CC2(C)C)cc1
InChIInChI=1S/C20H25N3O/c1-13-4-8-15(9-5-13)20(12-19(20,2)3)18(24)21-11-16-10-17(23-22-16)14-6-7-14/h4-5,8-10,14H,6-7,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRCIYGQREKDTXNM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.58
Rot. Bonds5

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 119062704) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID119062704
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)NCc3cc(C4CC4)n[nH]3)CC2(C)C)cc1
InChIInChI=1S/C20H25N3O/c1-13-4-8-15(9-5-13)20(12-19(20,2)3)18(24)21-11-16-10-17(23-22-16)14-6-7-14/h4-5,8-10,14H,6-7,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRCIYGQREKDTXNM-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 126430951
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-methylpropanamide
CID 171523613
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 157037255
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 97131114
acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 154888133
(1S)-2,2-dichloro-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 95623458
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
(2S)-2-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]propane-1,2-diamine
CID 104867760
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72882893
2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 118788705
N-[3-(2,4-dimethylanilino)-3-oxopropyl]-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 131928687
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 97146952

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 119062704) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)NCc3cc(C4CC4)n[nH]3)CC2(C)C)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is RCIYGQREKDTXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13-4-8-15(9-5-13)20(12-19(20,2)3)18(24)21-11-16-10-17(23-22-16)14-6-7-14/h4-5,8-10,14H,6-7,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119062704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).