(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine

C9H17N3 — CID 23005637

IUPAC(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C(C)C)c(C)c1CN
InChIInChI=1S/C9H17N3/c1-6(2)12-8(4)9(5-10)7(3)11-12/h6H,5,10H2,1-4H3
InChIKeyXHIVHOMPHCAFGV-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.54
Rot. Bonds2

About (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine

(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 23005637) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID23005637
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C(C)C)c(C)c1CN
InChIInChI=1S/C9H17N3/c1-6(2)12-8(4)9(5-10)7(3)11-12/h6H,5,10H2,1-4H3
InChIKeyXHIVHOMPHCAFGV-UHFFFAOYSA-N
XLogP1.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine (CID 23005637) is (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine is Cc1nn(C(C)C)c(C)c1CN.
What is the InChIKey of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is XHIVHOMPHCAFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)12-8(4)9(5-10)7(3)11-12/h6H,5,10H2,1-4H3.
What are the key properties of (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine?
(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 23005637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).