N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

C13H24N4O — CID 119587844

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-10(2)6-12(7-14)16-13(18)5-4-11-8-15-17(3)9-11/h8-10,12H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyQYHYBXZTIVPCTE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 119587844) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID119587844
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-10(2)6-12(7-14)16-13(18)5-4-11-8-15-17(3)9-11/h8-10,12H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyQYHYBXZTIVPCTE-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119608019
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
(2S,3S)-3-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119194048
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
CID 119588587
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
4-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 103023542

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (CID 119587844) is N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is CC(C)CC(CN)NC(=O)CCc1cnn(C)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is QYHYBXZTIVPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)6-12(7-14)16-13(18)5-4-11-8-15-17(3)9-11/h8-10,12H,4-7,14H2,1-3H3,(H,16,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 119587844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).