4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine

C11H21N3 — CID 82868697

IUPAC4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCC(C)C(Cc1ccn(C)n1)C(C)N
InChIInChI=1S/C11H21N3/c1-8(2)11(9(3)12)7-10-5-6-14(4)13-10/h5-6,8-9,11H,7,12H2,1-4H3
InChIKeyQXXNRHQHIUOSGZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.58
Rot. Bonds4

About 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine

4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 82868697) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID82868697
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCC(C)C(Cc1ccn(C)n1)C(C)N
InChIInChI=1S/C11H21N3/c1-8(2)11(9(3)12)7-10-5-6-14(4)13-10/h5-6,8-9,11H,7,12H2,1-4H3
InChIKeyQXXNRHQHIUOSGZ-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine (CID 82868697) is 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine is CC(C)C(Cc1ccn(C)n1)C(C)N.
What is the InChIKey of 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is QXXNRHQHIUOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)11(9(3)12)7-10-5-6-14(4)13-10/h5-6,8-9,11H,7,12H2,1-4H3.
What are the key properties of 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 82868697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).