3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide

C12H14N4O — CID 62591368

IUPAC3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESNCCc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C12H14N4O/c13-5-4-9-2-1-3-10(6-9)12(17)16-11-7-14-15-8-11/h1-3,6-8H,4-5,13H2,(H,14,15)(H,16,17)
InChIKeyCPQJTSNSLWDUPX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.16
Rot. Bonds4

About 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide

3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 62591368) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID62591368
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESNCCc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C12H14N4O/c13-5-4-9-2-1-3-10(6-9)12(17)16-11-7-14-15-8-11/h1-3,6-8H,4-5,13H2,(H,14,15)(H,16,17)
InChIKeyCPQJTSNSLWDUPX-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
1-[3-(aminomethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 43540324
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
3-(2-aminoethyl)-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55261173
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide (CID 62591368) is 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide is NCCc1cccc(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CPQJTSNSLWDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-5-4-9-2-1-3-10(6-9)12(17)16-11-7-14-15-8-11/h1-3,6-8H,4-5,13H2,(H,14,15)(H,16,17).
What are the key properties of 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide?
3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 62591368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).