[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine

C12H22N4 — CID 115092470

IUPAC[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCC(C)N1CCCC(c2cc(CN)[nH]n2)C1
InChIInChI=1S/C12H22N4/c1-9(2)16-5-3-4-10(8-16)12-6-11(7-13)14-15-12/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyJOZIYNZQWLPNQS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.46
Rot. Bonds3

About [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine

[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine (PubChem CID 115092470) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine
PubChem CID115092470
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine
SMILESCC(C)N1CCCC(c2cc(CN)[nH]n2)C1
InChIInChI=1S/C12H22N4/c1-9(2)16-5-3-4-10(8-16)12-6-11(7-13)14-15-12/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15)
InChIKeyJOZIYNZQWLPNQS-UHFFFAOYSA-N
XLogP1.46
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-ethylpyrrolidin-3-yl)-1H-pyrazol-5-yl]methanamine
CID 115092182
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
4,6-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)pyrimidine
CID 110254196
N,N-dimethyl-6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 73440428
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 71926954
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 124972404
2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433
4-methyl-2-[2-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 124959081
(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 100871736
N-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 124964857
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97004448

Frequently Asked Questions

What is the IUPAC name of [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine (CID 115092470) is [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine is CC(C)N1CCCC(c2cc(CN)[nH]n2)C1.
What is the InChIKey of [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is JOZIYNZQWLPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-5-3-4-10(8-16)12-6-11(7-13)14-15-12/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine?
[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 115092470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).