(4R)-4H-pyrazole-3,4-diamine

C3H6N4 — CID 98452860

IUPAC(4R)-4H-pyrazole-3,4-diamine
SMILESNC1=NN=C[C@H]1N
InChIInChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1-2H,4H2,(H2,5,7)/t2-/m1/s1
InChIKeySUKMEDQSBROCRB-UWTATZPHSA-N
MW98.11 g/mol
LogP-1.33
Rot. Bonds

About (4R)-4H-pyrazole-3,4-diamine

(4R)-4H-pyrazole-3,4-diamine (PubChem CID 98452860) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is (4R)-4H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name(4R)-4H-pyrazole-3,4-diamine
PubChem CID98452860
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Name(4R)-4H-pyrazole-3,4-diamine
SMILESNC1=NN=C[C@H]1N
InChIInChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1-2H,4H2,(H2,5,7)/t2-/m1/s1
InChIKeySUKMEDQSBROCRB-UWTATZPHSA-N
XLogP-1.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-4H-pyrazol-3-amine;hydrochloride
CID 517664
2,7-ditert-butyl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
CID 171606227
4-amino-5-fluoro-5H-pyrimidin-2-one
CID 24870984
6,7-dihydro-3aH-benzotriazole
CID 58014732
3-methyl-3,4-dihydro-2H-pyrrol-4-amine
CID 57259265
(3aR)-4-fluoro-3aH-indazol-3-amine
CID 86306343
cyclobutane-1,2,3,4-tetramine;tetrahydrobromide
CID 12509581
(3aR)-3aH-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
CID 98132225
pyridin-4-amine;hydrobromide
CID 71366111
7H-cyclopenta[b]pyridin-7-amine;dihydrochloride
CID 175219191
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
7-bromo-7H-indazol-5-amine
CID 69184431

Frequently Asked Questions

What is the IUPAC name of (4R)-4H-pyrazole-3,4-diamine?
The IUPAC name of (4R)-4H-pyrazole-3,4-diamine (CID 98452860) is (4R)-4H-pyrazole-3,4-diamine.
What is the SMILES notation for (4R)-4H-pyrazole-3,4-diamine?
The canonical SMILES for (4R)-4H-pyrazole-3,4-diamine is NC1=NN=C[C@H]1N.
What is the InChIKey of (4R)-4H-pyrazole-3,4-diamine?
The InChIKey is SUKMEDQSBROCRB-UWTATZPHSA-N. The full InChI is InChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1-2H,4H2,(H2,5,7)/t2-/m1/s1.
What are the key properties of (4R)-4H-pyrazole-3,4-diamine?
(4R)-4H-pyrazole-3,4-diamine has a molecular weight of 98.11 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4H-pyrazole-3,4-diamine is sourced from PubChem (CID 98452860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).