2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide

C11H20N4O — CID 104618932

IUPAC2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
SMILESCc1cn[nH]c1NC(=O)C(CN)CC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)4-9(5-12)11(16)14-10-8(3)6-13-15-10/h6-7,9H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyJBBIUBWQZLSHLE-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.28
Rot. Bonds5

About 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide

2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide (PubChem CID 104618932) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
PubChem CID104618932
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
SMILESCc1cn[nH]c1NC(=O)C(CN)CC(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)4-9(5-12)11(16)14-10-8(3)6-13-15-10/h6-7,9H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyJBBIUBWQZLSHLE-UHFFFAOYSA-N
XLogP1.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104619088
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
CID 106954435
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619019
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104620556
2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 112702019
2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
CID 86813981
4-(2-aminoethyl)-5,5-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619122
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide (CID 104618932) is 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide is Cc1cn[nH]c1NC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
The InChIKey is JBBIUBWQZLSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)4-9(5-12)11(16)14-10-8(3)6-13-15-10/h6-7,9H,4-5,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide?
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide has a molecular weight of 224.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 104618932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).