N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide

C23H25N3O — CID 154878015

IUPACN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1ccccc1)Nc1ccn(CC2CC2)n1
InChIInChI=1S/C23H25N3O/c27-23(24-22-13-14-26(25-22)17-19-11-12-19)16-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,13-14,19,21H,11-12,15-17H2,(H,24,25,27)
InChIKeyUOYIZAKDSYRMPE-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.65
Rot. Bonds8

About N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide

N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide (PubChem CID 154878015) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide
PubChem CID154878015
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide
SMILESO=C(CC(Cc1ccccc1)c1ccccc1)Nc1ccn(CC2CC2)n1
InChIInChI=1S/C23H25N3O/c27-23(24-22-13-14-26(25-22)17-19-11-12-19)16-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,13-14,19,21H,11-12,15-17H2,(H,24,25,27)
InChIKeyUOYIZAKDSYRMPE-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
CID 119451866
methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
CID 119950382
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
CID 155688305
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103626
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
N-(1-benzylpyrazol-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014338
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
CID 119328467

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide (CID 154878015) is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide is O=C(CC(Cc1ccccc1)c1ccccc1)Nc1ccn(CC2CC2)n1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide?
The InChIKey is UOYIZAKDSYRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(24-22-13-14-26(25-22)17-19-11-12-19)16-21(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-10,13-14,19,21H,11-12,15-17H2,(H,24,25,27).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide?
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide is sourced from PubChem (CID 154878015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).