1-methyl-3-pyridin-4-ylpyrazol-4-amine

C9H10N4 — CID 54581685

IUPAC1-methyl-3-pyridin-4-ylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccncc2)n1
InChIInChI=1S/C9H10N4/c1-13-6-8(10)9(12-13)7-2-4-11-5-3-7/h2-6H,10H2,1H3
InChIKeyPDPGHKNJMFNIHE-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-3-pyridin-4-ylpyrazol-4-amine

1-methyl-3-pyridin-4-ylpyrazol-4-amine (PubChem CID 54581685) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-methyl-3-pyridin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-pyridin-4-ylpyrazol-4-amine
PubChem CID54581685
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name1-methyl-3-pyridin-4-ylpyrazol-4-amine
SMILESCn1cc(N)c(-c2ccncc2)n1
InChIInChI=1S/C9H10N4/c1-13-6-8(10)9(12-13)7-2-4-11-5-3-7/h2-6H,10H2,1H3
InChIKeyPDPGHKNJMFNIHE-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyridin-4-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-3-pyridin-4-ylpyrazol-4-amine (CID 54581685) is 1-methyl-3-pyridin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-pyridin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-3-pyridin-4-ylpyrazol-4-amine is Cn1cc(N)c(-c2ccncc2)n1.
What is the InChIKey of 1-methyl-3-pyridin-4-ylpyrazol-4-amine?
The InChIKey is PDPGHKNJMFNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13-6-8(10)9(12-13)7-2-4-11-5-3-7/h2-6H,10H2,1H3.
What are the key properties of 1-methyl-3-pyridin-4-ylpyrazol-4-amine?
1-methyl-3-pyridin-4-ylpyrazol-4-amine has a molecular weight of 174.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyridin-4-ylpyrazol-4-amine is sourced from PubChem (CID 54581685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).