3-N-propan-2-yl-1H-pyrazole-3,5-diamine

C6H12N4 — CID 55285667

IUPAC3-N-propan-2-yl-1H-pyrazole-3,5-diamine
SMILESCC(C)Nc1cc(N)[nH]n1
InChIInChI=1S/C6H12N4/c1-4(2)8-6-3-5(7)9-10-6/h3-4H,1-2H3,(H4,7,8,9,10)
InChIKeyAQNFKSGEBLQBJB-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds2

About 3-N-propan-2-yl-1H-pyrazole-3,5-diamine

3-N-propan-2-yl-1H-pyrazole-3,5-diamine (PubChem CID 55285667) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-N-propan-2-yl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-propan-2-yl-1H-pyrazole-3,5-diamine
PubChem CID55285667
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-N-propan-2-yl-1H-pyrazole-3,5-diamine
SMILESCC(C)Nc1cc(N)[nH]n1
InChIInChI=1S/C6H12N4/c1-4(2)8-6-3-5(7)9-10-6/h3-4H,1-2H3,(H4,7,8,9,10)
InChIKeyAQNFKSGEBLQBJB-UHFFFAOYSA-N
XLogP0.81
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N-propan-2-yl-1H-pyrazole-3,5-diamine (CID 55285667) is 3-N-propan-2-yl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N-propan-2-yl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N-propan-2-yl-1H-pyrazole-3,5-diamine is CC(C)Nc1cc(N)[nH]n1.
What is the InChIKey of 3-N-propan-2-yl-1H-pyrazole-3,5-diamine?
The InChIKey is AQNFKSGEBLQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(2)8-6-3-5(7)9-10-6/h3-4H,1-2H3,(H4,7,8,9,10).
What are the key properties of 3-N-propan-2-yl-1H-pyrazole-3,5-diamine?
3-N-propan-2-yl-1H-pyrazole-3,5-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 55285667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).