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

C14H18N4O — CID 106217042

IUPAC3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCN)c1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)12-4-2-3-11(7-12)5-6-15/h2-4,7-10H,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyZZVIWTBLTVMLFD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds5

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

3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 106217042) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID106217042
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCN)c1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)12-4-2-3-11(7-12)5-6-15/h2-4,7-10H,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyZZVIWTBLTVMLFD-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217820
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
3-bromo-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]benzamide
CID 103856534
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 106217042) is 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1cccc(CCN)c1)c1cn[nH]c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is ZZVIWTBLTVMLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(13-8-16-17-9-13)18-14(19)12-4-2-3-11(7-12)5-6-15/h2-4,7-10H,5-6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106217042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).