N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C19H25N3O — CID 97128347

IUPACN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)n[nH]1
InChIInChI=1S/C19H25N3O/c1-4-8-15-11-16(22-21-15)17(23)20-13-19(12-18(19,2)3)14-9-6-5-7-10-14/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1
InChIKeyXRYRHVJSHASWJW-IBGZPJMESA-N
MW311.43 g/mol
LogP3.46
Rot. Bonds6

About N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97128347) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97128347
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)n[nH]1
InChIInChI=1S/C19H25N3O/c1-4-8-15-11-16(22-21-15)17(23)20-13-19(12-18(19,2)3)14-9-6-5-7-10-14/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1
InChIKeyXRYRHVJSHASWJW-IBGZPJMESA-N
XLogP3.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70719530
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 125160202
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86840228
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97122450

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97128347) is N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)n[nH]1.
What is the InChIKey of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is XRYRHVJSHASWJW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-8-15-11-16(22-21-15)17(23)20-13-19(12-18(19,2)3)14-9-6-5-7-10-14/h5-7,9-11H,4,8,12-13H2,1-3H3,(H,20,23)(H,21,22)/t19-/m0/s1.
What are the key properties of N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97128347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).