5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine

C9H16N4 — CID 76667931

IUPAC5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
SMILESCN1CCCCC1c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4/c1-13-5-3-2-4-8(13)7-6-9(10)12-11-7/h6,8H,2-5H2,1H3,(H3,10,11,12)
InChIKeyVCEKTFZSEFETOZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds1

About 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine

5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine (PubChem CID 76667931) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
PubChem CID76667931
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine
SMILESCN1CCCCC1c1cc(N)n[nH]1
InChIInChI=1S/C9H16N4/c1-13-5-3-2-4-8(13)7-6-9(10)12-11-7/h6,8H,2-5H2,1H3,(H3,10,11,12)
InChIKeyVCEKTFZSEFETOZ-UHFFFAOYSA-N
XLogP1.15
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine (CID 76667931) is 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine is CN1CCCCC1c1cc(N)n[nH]1.
What is the InChIKey of 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine?
The InChIKey is VCEKTFZSEFETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-5-3-2-4-8(13)7-6-9(10)12-11-7/h6,8H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine?
5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 76667931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).