5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole

C6H8N4 — CID 91013544

IUPAC5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole
SMILESC1=NN(c2ccn[nH]2)CC1
InChIInChI=1S/C6H8N4/c1-3-8-10(5-1)6-2-4-7-9-6/h2-4H,1,5H2,(H,7,9)
InChIKeyDMJVWZJFRKROOS-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.61
Rot. Bonds1

About 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole

5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole (PubChem CID 91013544) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole
PubChem CID91013544
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole
SMILESC1=NN(c2ccn[nH]2)CC1
InChIInChI=1S/C6H8N4/c1-3-8-10(5-1)6-2-4-7-9-6/h2-4H,1,5H2,(H,7,9)
InChIKeyDMJVWZJFRKROOS-UHFFFAOYSA-N
XLogP0.61
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1H-pyrazol-3-amine
CID 14818493
N-Methyl-1H-pyrazol-5-amine
CID 22265630
1,3'-Bi-1H-pyrazole
CID 5324090
3-Acetylaminopyrazole
CID 2777527
N-1H-Pyrazol-3-ylthiourea
CID 2771004
3-Dimethylamino-pyrazole
CID 13496871
1-(1h-Pyrazol-5-yl)-1h-1,2,3-triazole
CID 20347365
Piperidino-pyrazole
CID 21416212
Pyrazolyl piperazine
CID 21427013
N-1H-Pyrazol-5-ylurea
CID 22464195
5-(pyrrolidin-1-yl)-1H-pyrazol-3-amine
CID 45088327
1-Pyrazolyltetrazole
CID 53788223

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole?
The IUPAC name of 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole (CID 91013544) is 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole is C1=NN(c2ccn[nH]2)CC1.
What is the InChIKey of 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole?
The InChIKey is DMJVWZJFRKROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-3-8-10(5-1)6-2-4-7-9-6/h2-4H,1,5H2,(H,7,9).
What are the key properties of 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole?
5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole has a molecular weight of 136.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydropyrazol-2-yl)-1H-pyrazole is sourced from PubChem (CID 91013544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).