N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

C10H12N4 — CID 43663437

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1[nH]ncc1CNc1cccnc1
InChIInChI=1S/C10H12N4/c1-8-9(6-13-14-8)5-12-10-3-2-4-11-7-10/h2-4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyAIPIJLWNMLVTLK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.73
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 43663437) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID43663437
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1[nH]ncc1CNc1cccnc1
InChIInChI=1S/C10H12N4/c1-8-9(6-13-14-8)5-12-10-3-2-4-11-7-10/h2-4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyAIPIJLWNMLVTLK-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (CID 43663437) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is Cc1[nH]ncc1CNc1cccnc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is AIPIJLWNMLVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-9(6-13-14-8)5-12-10-3-2-4-11-7-10/h2-4,6-7,12H,5H2,1H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 188.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43663437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).