3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride

C12H24Cl2N4 — CID 102565601

IUPAC3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride
SMILESCC(C)n1cc(N)c(NC2CCCCC2)n1.Cl.Cl
InChIInChI=1S/C12H22N4.2ClH/c1-9(2)16-8-11(13)12(15-16)14-10-6-4-3-5-7-10;;/h8-10H,3-7,13H2,1-2H3,(H,14,15);2*1H
InChIKeyULXNKIKCEDDRFQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.63
Rot. Bonds3

About 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride

3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride (PubChem CID 102565601) has the molecular formula C12H24Cl2N4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride
PubChem CID102565601
Molecular FormulaC12H24Cl2N4
Molecular Weight295.26 g/mol
Exact Mass294.14
IUPAC Name3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride
SMILESCC(C)n1cc(N)c(NC2CCCCC2)n1.Cl.Cl
InChIInChI=1S/C12H22N4.2ClH/c1-9(2)16-8-11(13)12(15-16)14-10-6-4-3-5-7-10;;/h8-10H,3-7,13H2,1-2H3,(H,14,15);2*1H
InChIKeyULXNKIKCEDDRFQ-UHFFFAOYSA-N
XLogP3.63
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,1-di(propan-2-yl)pyrazole-3,4-diamine
CID 90481048
3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine
CID 90481054
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 59559224
3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
CID 103078573
2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027336
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 59559188
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride?
The IUPAC name of 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride (CID 102565601) is 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride.
What is the SMILES notation for 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride?
The canonical SMILES for 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride is CC(C)n1cc(N)c(NC2CCCCC2)n1.Cl.Cl.
What is the InChIKey of 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride?
The InChIKey is ULXNKIKCEDDRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.2ClH/c1-9(2)16-8-11(13)12(15-16)14-10-6-4-3-5-7-10;;/h8-10H,3-7,13H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride?
3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride has a molecular weight of 295.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1-propan-2-ylpyrazole-3,4-diamine;dihydrochloride is sourced from PubChem (CID 102565601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).