N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide

C15H20N4O — CID 60971796

IUPACN-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)17-15(20)12-4-6-13(7-5-12)18-11(3)14-8-9-16-19-14/h4-11,18H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNQSZSBTXTIDFIA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.72
Rot. Bonds5

About N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide

N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide (PubChem CID 60971796) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
PubChem CID60971796
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)17-15(20)12-4-6-13(7-5-12)18-11(3)14-8-9-16-19-14/h4-11,18H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNQSZSBTXTIDFIA-UHFFFAOYSA-N
XLogP2.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The IUPAC name of N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide (CID 60971796) is N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The canonical SMILES for N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide is CC(C)NC(=O)c1ccc(NC(C)c2ccn[nH]2)cc1.
What is the InChIKey of N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
The InChIKey is NQSZSBTXTIDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)17-15(20)12-4-6-13(7-5-12)18-11(3)14-8-9-16-19-14/h4-11,18H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide?
N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 60971796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).