1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine

C9H17N5 — CID 67439094

IUPAC1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
SMILESCn1ncc(N)c1N1CCC(N)CC1
InChIInChI=1S/C9H17N5/c1-13-9(8(11)6-12-13)14-4-2-7(10)3-5-14/h6-7H,2-5,10-11H2,1H3
InChIKeyQHCSEOXVZDSQDY-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.07
Rot. Bonds1

About 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine

1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine (PubChem CID 67439094) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
PubChem CID67439094
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
SMILESCn1ncc(N)c1N1CCC(N)CC1
InChIInChI=1S/C9H17N5/c1-13-9(8(11)6-12-13)14-4-2-7(10)3-5-14/h6-7H,2-5,10-11H2,1H3
InChIKeyQHCSEOXVZDSQDY-UHFFFAOYSA-N
XLogP-0.07
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine?
The IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine (CID 67439094) is 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine is Cn1ncc(N)c1N1CCC(N)CC1.
What is the InChIKey of 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine?
The InChIKey is QHCSEOXVZDSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13-9(8(11)6-12-13)14-4-2-7(10)3-5-14/h6-7H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine?
1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine has a molecular weight of 195.27 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 67439094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).