1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine

C8H11N5 — CID 17024718

IUPAC1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCn1cc(Cn2ccc(N)n2)cn1
InChIInChI=1S/C8H11N5/c1-12-5-7(4-10-12)6-13-3-2-8(9)11-13/h2-5H,6H2,1H3,(H2,9,11)
InChIKeyVKIXJJPTWBTTEZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.25
Rot. Bonds2

About 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine

1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 17024718) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID17024718
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCn1cc(Cn2ccc(N)n2)cn1
InChIInChI=1S/C8H11N5/c1-12-5-7(4-10-12)6-13-3-2-8(9)11-13/h2-5H,6H2,1H3,(H2,9,11)
InChIKeyVKIXJJPTWBTTEZ-UHFFFAOYSA-N
XLogP0.25
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 17024718) is 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine is Cn1cc(Cn2ccc(N)n2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is VKIXJJPTWBTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-12-5-7(4-10-12)6-13-3-2-8(9)11-13/h2-5H,6H2,1H3,(H2,9,11).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 177.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 17024718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).