N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide

C18H23N3O — CID 71808571

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
SMILESCn1nc(CNC(=O)CCCc2ccccc2)cc1C1CC1
InChIInChI=1S/C18H23N3O/c1-21-17(15-10-11-15)12-16(20-21)13-19-18(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,19,22)
InChIKeyGEYIHAKQEWHKET-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.94
Rot. Bonds7

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide (PubChem CID 71808571) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
PubChem CID71808571
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
SMILESCn1nc(CNC(=O)CCCc2ccccc2)cc1C1CC1
InChIInChI=1S/C18H23N3O/c1-21-17(15-10-11-15)12-16(20-21)13-19-18(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,19,22)
InChIKeyGEYIHAKQEWHKET-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
N-(2-aminoethyl)-5-cyclopropyl-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide;hydrochloride
CID 120886743
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
CID 71808574
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 138027965
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[(1-ethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19330999
4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 47044256
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527
4-phenyl-N-prop-2-ynylbutanamide
CID 60769101

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide (CID 71808571) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide is Cn1nc(CNC(=O)CCCc2ccccc2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide?
The InChIKey is GEYIHAKQEWHKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21-17(15-10-11-15)12-16(20-21)13-19-18(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 71808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).