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

C9H16N4 — CID 58029408

IUPAC5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine
SMILESCN1CCCC[C@H]1c1cc(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)/t8-/m0/s1
InChIKeyVCEKTFZSEFETOZ-QMMMGPOBSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds1

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

5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine (PubChem CID 58029408) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine
PubChem CID58029408
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine
SMILESCN1CCCC[C@H]1c1cc(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)/t8-/m0/s1
InChIKeyVCEKTFZSEFETOZ-QMMMGPOBSA-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-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine (CID 58029408) is 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine is CN1CCCC[C@H]1c1cc(N)n[nH]1.
What is the InChIKey of 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine?
The InChIKey is VCEKTFZSEFETOZ-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine?
5-[(2S)-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-[(2S)-1-methylpiperidin-2-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 58029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).