3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C21H20N4O3 — CID 11245836

IUPAC3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(O)c2)c1N
InChIInChI=1S/C21H20N4O3/c1-12-5-6-14(21(28)24-15-7-8-15)10-18(12)25-20(22)17(11-23-25)19(27)13-3-2-4-16(26)9-13/h2-6,9-11,15,26H,7-8,22H2,1H3,(H,24,28)
InChIKeyDKDNHRIIFVRZJH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.59
Rot. Bonds5

About 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11245836) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11245836
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(O)c2)c1N
InChIInChI=1S/C21H20N4O3/c1-12-5-6-14(21(28)24-15-7-8-15)10-18(12)25-20(22)17(11-23-25)19(27)13-3-2-4-16(26)9-13/h2-6,9-11,15,26H,7-8,22H2,1H3,(H,24,28)
InChIKeyDKDNHRIIFVRZJH-UHFFFAOYSA-N
XLogP2.59
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 11245836) is 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(O)c2)c1N.
What is the InChIKey of 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is DKDNHRIIFVRZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-5-6-14(21(28)24-15-7-8-15)10-18(12)25-20(22)17(11-23-25)19(27)13-3-2-4-16(26)9-13/h2-6,9-11,15,26H,7-8,22H2,1H3,(H,24,28).
What are the key properties of 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-(3-hydroxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11245836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).