N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C19H25N3O — CID 87024531

IUPACN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCc1ccc(CN(C(=O)CCc2cnn(C)c2)C2CC2)cc1
InChIInChI=1S/C19H25N3O/c1-3-15-4-6-16(7-5-15)14-22(18-9-10-18)19(23)11-8-17-12-20-21(2)13-17/h4-7,12-13,18H,3,8-11,14H2,1-2H3
InChIKeyLEJIUXIRDYPGJC-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.11
Rot. Bonds7

About N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 87024531) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID87024531
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCc1ccc(CN(C(=O)CCc2cnn(C)c2)C2CC2)cc1
InChIInChI=1S/C19H25N3O/c1-3-15-4-6-16(7-5-15)14-22(18-9-10-18)19(23)11-8-17-12-20-21(2)13-17/h4-7,12-13,18H,3,8-11,14H2,1-2H3
InChIKeyLEJIUXIRDYPGJC-UHFFFAOYSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
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CID 119532209
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166421893
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 97115371
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 156840377
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide
CID 71859338

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 87024531) is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is CCc1ccc(CN(C(=O)CCc2cnn(C)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is LEJIUXIRDYPGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-15-4-6-16(7-5-15)14-22(18-9-10-18)19(23)11-8-17-12-20-21(2)13-17/h4-7,12-13,18H,3,8-11,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 87024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).