N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

C18H34N4O — CID 119570899

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C18H34N4O/c1-7-18(8-2,12-19)20-17(23)10-9-16-14(5)21-22(15(16)6)11-13(3)4/h13H,7-12,19H2,1-6H3,(H,20,23)
InChIKeyOXABUKHCAKWHNB-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.72
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (PubChem CID 119570899) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
PubChem CID119570899
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C18H34N4O/c1-7-18(8-2,12-19)20-17(23)10-9-16-14(5)21-22(15(16)6)11-13(3)4/h13H,7-12,19H2,1-6H3,(H,20,23)
InChIKeyOXABUKHCAKWHNB-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119570898
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119571153
2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-2-phenylbutanoic acid
CID 119201652
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 51237530
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31265452
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylpiperidin-4-yl)propanamide
CID 36813556
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one;hydrochloride
CID 119633381
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550127
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513068
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-nitrophenyl)methyl]propanamide
CID 55798683

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide (CID 119570899) is N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is CCC(CC)(CN)NC(=O)CCc1c(C)nn(CC(C)C)c1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
The InChIKey is OXABUKHCAKWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-7-18(8-2,12-19)20-17(23)10-9-16-14(5)21-22(15(16)6)11-13(3)4/h13H,7-12,19H2,1-6H3,(H,20,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide has a molecular weight of 322.50 g/mol, XLogP of 2.72, 9 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]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 119570899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).