N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide

C17H21N3O — CID 176904217

IUPACN-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC2)c2ccn[nH]2)cc1
InChIInChI=1S/C17H21N3O/c1-11(2)12-3-5-13(6-4-12)16(15-9-10-18-20-15)19-17(21)14-7-8-14/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNXZRFMFKSARWEU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.15
Rot. Bonds5

About N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide

N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide (PubChem CID 176904217) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
PubChem CID176904217
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC2)c2ccn[nH]2)cc1
InChIInChI=1S/C17H21N3O/c1-11(2)12-3-5-13(6-4-12)16(15-9-10-18-20-15)19-17(21)14-7-8-14/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNXZRFMFKSARWEU-UHFFFAOYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
N-[(3-acetamidophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097142
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097060

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide (CID 176904217) is N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide is CC(C)c1ccc(C(NC(=O)C2CC2)c2ccn[nH]2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide?
The InChIKey is NXZRFMFKSARWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)12-3-5-13(6-4-12)16(15-9-10-18-20-15)19-17(21)14-7-8-14/h3-6,9-11,14,16H,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide?
N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 176904217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).