1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine

C11H17N5 — CID 122167062

IUPAC1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCC(C)n1nccc1CNc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9(2)16-10(4-6-13-16)8-12-11-5-7-15(3)14-11/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyZKZBXSXDHHGTDG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine

1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122167062) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122167062
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCC(C)n1nccc1CNc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9(2)16-10(4-6-13-16)8-12-11-5-7-15(3)14-11/h4-7,9H,8H2,1-3H3,(H,12,14)
InChIKeyZKZBXSXDHHGTDG-UHFFFAOYSA-N
XLogP1.81
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122167062) is 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine is CC(C)n1nccc1CNc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is ZKZBXSXDHHGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(2)16-10(4-6-13-16)8-12-11-5-7-15(3)14-11/h4-7,9H,8H2,1-3H3,(H,12,14).
What are the key properties of 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 219.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122167062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).