3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

C19H19N3O — CID 90385109

IUPAC3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19N3O/c1-13-10-16(8-9-18(13)17-11-20-21-12-17)19(23)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyCRFSDZNCOBDRQG-CQSZACIVSA-N
MW305.38 g/mol
LogP3.88
Rot. Bonds4

About 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide

3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 90385109) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID90385109
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19N3O/c1-13-10-16(8-9-18(13)17-11-20-21-12-17)19(23)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyCRFSDZNCOBDRQG-CQSZACIVSA-N
XLogP3.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 90385109) is 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CRFSDZNCOBDRQG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-16(8-9-18(13)17-11-20-21-12-17)19(23)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21)(H,22,23)/t14-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 90385109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).