N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C19H28N4O — CID 119569020

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H28N4O/c1-5-19(6-2,13-20)21-18(24)17-9-7-16(8-10-17)12-23-15(4)11-14(3)22-23/h7-11H,5-6,12-13,20H2,1-4H3,(H,21,24)
InChIKeyFHNALPSZCATCLT-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.80
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 119569020) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID119569020
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H28N4O/c1-5-19(6-2,13-20)21-18(24)17-9-7-16(8-10-17)12-23-15(4)11-14(3)22-23/h7-11H,5-6,12-13,20H2,1-4H3,(H,21,24)
InChIKeyFHNALPSZCATCLT-UHFFFAOYSA-N
XLogP2.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000615
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 119569020) is N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is CCC(CC)(CN)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is FHNALPSZCATCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-19(6-2,13-20)21-18(24)17-9-7-16(8-10-17)12-23-15(4)11-14(3)22-23/h7-11H,5-6,12-13,20H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 119569020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).