4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine

C7H14N4 — CID 115069507

IUPAC4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CN)c1N
InChIInChI=1S/C7H14N4/c1-5(2)11-7(9)6(3-8)4-10-11/h4-5H,3,8-9H2,1-2H3
InChIKeyNDFPNQFLTHYFNT-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.50
Rot. Bonds2

About 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine

4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine (PubChem CID 115069507) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
PubChem CID115069507
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CN)c1N
InChIInChI=1S/C7H14N4/c1-5(2)11-7(9)6(3-8)4-10-11/h4-5H,3,8-9H2,1-2H3
InChIKeyNDFPNQFLTHYFNT-UHFFFAOYSA-N
XLogP0.50
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine (CID 115069507) is 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine is CC(C)n1ncc(CN)c1N.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine?
The InChIKey is NDFPNQFLTHYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)11-7(9)6(3-8)4-10-11/h4-5H,3,8-9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine?
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine has a molecular weight of 154.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 115069507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).