3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine

C13H25N3 — CID 115630774

IUPAC3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3/c1-6-13(5,7-2)14-8-12-9-15-16(10-12)11(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyCAMAISSEXUUZJS-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.13
Rot. Bonds6

About 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine

3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine (PubChem CID 115630774) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
PubChem CID115630774
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1cnn(C(C)C)c1
InChIInChI=1S/C13H25N3/c1-6-13(5,7-2)14-8-12-9-15-16(10-12)11(3)4/h9-11,14H,6-8H2,1-5H3
InChIKeyCAMAISSEXUUZJS-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 104599634
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
CID 113243466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine (CID 115630774) is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine is CCC(C)(CC)NCc1cnn(C(C)C)c1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The InChIKey is CAMAISSEXUUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-13(5,7-2)14-8-12-9-15-16(10-12)11(3)4/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115630774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).