N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide

C18H23N3O — CID 71859338

IUPACN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide
SMILESCn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-20-13-16(12-19-20)10-11-18(22)21(14-15-6-5-7-15)17-8-3-2-4-9-17/h2-4,8-9,12-13,15H,5-7,10-11,14H2,1H3
InChIKeyLXRDSYPUWGYPSY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.19
Rot. Bonds6

About N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide (PubChem CID 71859338) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide
PubChem CID71859338
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide
SMILESCn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-20-13-16(12-19-20)10-11-18(22)21(14-15-6-5-7-15)17-8-3-2-4-9-17/h2-4,8-9,12-13,15H,5-7,10-11,14H2,1H3
InChIKeyLXRDSYPUWGYPSY-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
2-amino-N-(cyclobutylmethyl)-N-phenylacetamide;hydrochloride
CID 119337195
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
N-(cyclobutylmethyl)-2-(cyclopropylmethylamino)-N-phenylacetamide
CID 119807486
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-methyl-3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 72904220
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120935945
1-(4-benzyl-6-methyl-1,4-diazepan-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 122152031
N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42342350
3-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71916473
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
CID 111543280

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide (CID 71859338) is N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide is Cn1cc(CCC(=O)N(CC2CCC2)c2ccccc2)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide?
The InChIKey is LXRDSYPUWGYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-13-16(12-19-20)10-11-18(22)21(14-15-6-5-7-15)17-8-3-2-4-9-17/h2-4,8-9,12-13,15H,5-7,10-11,14H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide?
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 71859338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).