1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine

C11H17N5 — CID 63081015

IUPAC1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2ccn[nH]2)nn(C)c1N
InChIInChI=1S/C11H17N5/c1-7(2)6-8-10(9-4-5-13-14-9)15-16(3)11(8)12/h4-5,7H,6,12H2,1-3H3,(H,13,14)
InChIKeyPDMRBWAHCUXBHN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.59
Rot. Bonds3

About 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine

1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine (PubChem CID 63081015) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
PubChem CID63081015
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2ccn[nH]2)nn(C)c1N
InChIInChI=1S/C11H17N5/c1-7(2)6-8-10(9-4-5-13-14-9)15-16(3)11(8)12/h4-5,7H,6,12H2,1-3H3,(H,13,14)
InChIKeyPDMRBWAHCUXBHN-UHFFFAOYSA-N
XLogP1.59
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine (CID 63081015) is 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine is CC(C)Cc1c(-c2ccn[nH]2)nn(C)c1N.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The InChIKey is PDMRBWAHCUXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)6-8-10(9-4-5-13-14-9)15-16(3)11(8)12/h4-5,7H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine has a molecular weight of 219.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 63081015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).