4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C22H24N4O2 — CID 44763707

IUPAC4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2cc(N)n(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-15-4-2-5-17(12-15)20-13-21(23)26(25-20)18-9-7-16(8-10-18)22(27)24-14-19-6-3-11-28-19/h2,4-5,7-10,12-13,19H,3,6,11,14,23H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeySFZHGRVZDXRBOP-IBGZPJMESA-N
MW376.46 g/mol
LogP3.34
Rot. Bonds5

About 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 44763707) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID44763707
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2cc(N)n(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-15-4-2-5-17(12-15)20-13-21(23)26(25-20)18-9-7-16(8-10-18)22(27)24-14-19-6-3-11-28-19/h2,4-5,7-10,12-13,19H,3,6,11,14,23H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeySFZHGRVZDXRBOP-IBGZPJMESA-N
XLogP3.34
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
CID 4535707
2-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazine-6-carboxamide
CID 93159315

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 44763707) is 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cccc(-c2cc(N)n(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)c1.
What is the InChIKey of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is SFZHGRVZDXRBOP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-4-2-5-17(12-15)20-13-21(23)26(25-20)18-9-7-16(8-10-18)22(27)24-14-19-6-3-11-28-19/h2,4-5,7-10,12-13,19H,3,6,11,14,23H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 44763707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).