5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine

C7H15N5 — CID 23298747

IUPAC5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine
SMILESCC(C)n1nc(N)c(N)c1CN
InChIInChI=1S/C7H15N5/c1-4(2)12-5(3-8)6(9)7(10)11-12/h4H,3,8-9H2,1-2H3,(H2,10,11)
InChIKeyRBDWEVUKBACKGO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.09
Rot. Bonds2

About 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine

5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine (PubChem CID 23298747) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine
PubChem CID23298747
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine
SMILESCC(C)n1nc(N)c(N)c1CN
InChIInChI=1S/C7H15N5/c1-4(2)12-5(3-8)6(9)7(10)11-12/h4H,3,8-9H2,1-2H3,(H2,10,11)
InChIKeyRBDWEVUKBACKGO-UHFFFAOYSA-N
XLogP0.09
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine?
The IUPAC name of 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine (CID 23298747) is 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine.
What is the SMILES notation for 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine?
The canonical SMILES for 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine is CC(C)n1nc(N)c(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine?
The InChIKey is RBDWEVUKBACKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4(2)12-5(3-8)6(9)7(10)11-12/h4H,3,8-9H2,1-2H3,(H2,10,11).
What are the key properties of 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine?
5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-propan-2-ylpyrazole-3,4-diamine is sourced from PubChem (CID 23298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).