N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide

C18H23N3O — CID 125160202

IUPACN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)n1
InChIInChI=1S/C18H23N3O/c1-4-21-11-10-15(20-21)16(22)19-13-18(12-17(18,2)3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,19,22)/t18-/m1/s1
InChIKeyWCSGGJGEMLEAAG-GOSISDBHSA-N
MW297.40 g/mol
LogP3.00
Rot. Bonds5

About N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide

N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 125160202) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
PubChem CID125160202
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)n1
InChIInChI=1S/C18H23N3O/c1-4-21-11-10-15(20-21)16(22)19-13-18(12-17(18,2)3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,19,22)/t18-/m1/s1
InChIKeyWCSGGJGEMLEAAG-GOSISDBHSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70719530
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide
CID 166300928
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide
CID 131910253
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-ethyl-N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]pyrazole-3-carboxamide;hydrochloride
CID 171708235
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
1-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4771617

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide (CID 125160202) is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)n1.
What is the InChIKey of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is WCSGGJGEMLEAAG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21-11-10-15(20-21)16(22)19-13-18(12-17(18,2)3)14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3,(H,19,22)/t18-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide?
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 125160202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).