2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine

C11H21N3 — CID 61004070

IUPAC2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1cn[nH]c1C
InChIInChI=1S/C11H21N3/c1-4-5-9(2)6-12-7-11-8-13-14-10(11)3/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHJLUQTOALUBWDB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine (PubChem CID 61004070) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
PubChem CID61004070
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1cn[nH]c1C
InChIInChI=1S/C11H21N3/c1-4-5-9(2)6-12-7-11-8-13-14-10(11)3/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHJLUQTOALUBWDB-UHFFFAOYSA-N
XLogP2.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
CID 60978609
4-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentanoic acid
CID 122127632
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 115907389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine (CID 61004070) is 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine is CCCC(C)CNCc1cn[nH]c1C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine?
The InChIKey is HJLUQTOALUBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-9(2)6-12-7-11-8-13-14-10(11)3/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine?
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 61004070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).