5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine

C7H14N4 — CID 82502647

IUPAC5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine
SMILESCC(C)c1n[nH]c(CN)c1N
InChIInChI=1S/C7H14N4/c1-4(2)7-6(9)5(3-8)10-11-7/h4H,3,8-9H2,1-2H3,(H,10,11)
InChIKeyHNEZPVMGAGFXCU-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.57
Rot. Bonds2

About 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine

5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine (PubChem CID 82502647) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine
PubChem CID82502647
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine
SMILESCC(C)c1n[nH]c(CN)c1N
InChIInChI=1S/C7H14N4/c1-4(2)7-6(9)5(3-8)10-11-7/h4H,3,8-9H2,1-2H3,(H,10,11)
InChIKeyHNEZPVMGAGFXCU-UHFFFAOYSA-N
XLogP0.57
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine?
The IUPAC name of 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine (CID 82502647) is 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine is CC(C)c1n[nH]c(CN)c1N.
What is the InChIKey of 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine?
The InChIKey is HNEZPVMGAGFXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4(2)7-6(9)5(3-8)10-11-7/h4H,3,8-9H2,1-2H3,(H,10,11).
What are the key properties of 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine?
5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-propan-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 82502647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).