N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide

C18H23N3O2 — CID 51090804

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-14(2)21(13-15-11-19-20(3)12-15)18(23)10-9-17(22)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyPXRKXSLDJWVOFZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.82
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide

N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 51090804) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
PubChem CID51090804
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-14(2)21(13-15-11-19-20(3)12-15)18(23)10-9-17(22)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyPXRKXSLDJWVOFZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 51098586
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
2-(2-bromo-4,5-diethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 55903930
N-benzyl-3-(4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60573937
N-[(1-methylpyrazol-4-yl)methyl]-N-[2-[(R)-phenylsulfinyl]ethyl]propan-2-amine
CID 95323085
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
2-(3-methyl-1,2-oxazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 56743144
(E)-3-(2,3-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylprop-2-enamide
CID 94636625
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
(2R)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 95277407
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48662023

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide (CID 51090804) is N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide is CC(C)N(Cc1cnn(C)c1)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is PXRKXSLDJWVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(2)21(13-15-11-19-20(3)12-15)18(23)10-9-17(22)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide?
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 51090804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).