4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine

C13H13N5 — CID 63078890

IUPAC4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2ccn[nH]2)c1
InChIInChI=1S/C13H13N5/c1-8-3-2-4-9(7-8)11-12(17-18-13(11)14)10-5-6-15-16-10/h2-7H,1H3,(H,15,16)(H3,14,17,18)
InChIKeyQLUUKFLNGYHUGU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.36
Rot. Bonds2

About 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine

4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 63078890) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
PubChem CID63078890
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2ccn[nH]2)c1
InChIInChI=1S/C13H13N5/c1-8-3-2-4-9(7-8)11-12(17-18-13(11)14)10-5-6-15-16-10/h2-7H,1H3,(H,15,16)(H3,14,17,18)
InChIKeyQLUUKFLNGYHUGU-UHFFFAOYSA-N
XLogP2.36
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine (CID 63078890) is 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2-c2ccn[nH]2)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is QLUUKFLNGYHUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-3-2-4-9(7-8)11-12(17-18-13(11)14)10-5-6-15-16-10/h2-7H,1H3,(H,15,16)(H3,14,17,18).
What are the key properties of 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine?
4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 239.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63078890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).