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

C13H24N4 — CID 64771689

IUPACN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-6-13(15-17)10-16-7-4-5-12(9-16)14-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyLQOFXKCIKLCOFL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds4

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

N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine (PubChem CID 64771689) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
PubChem CID64771689
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C13H24N4/c1-11(2)17-8-6-13(15-17)10-16-7-4-5-12(9-16)14-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyLQOFXKCIKLCOFL-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64772847
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine (CID 64771689) is N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine is CNC1CCCN(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is LQOFXKCIKLCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)17-8-6-13(15-17)10-16-7-4-5-12(9-16)14-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine?
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 64771689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).