3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine

C14H26N4 — CID 66028566

IUPAC3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC1CCCCC1C
InChIInChI=1S/C14H26N4/c1-4-9-18-14(13(15)11(3)17-18)16-12-8-6-5-7-10(12)2/h10,12,16H,4-9,15H2,1-3H3
InChIKeyHPFNNGJHPDFOSA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine

3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine (PubChem CID 66028566) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
PubChem CID66028566
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC1CCCCC1C
InChIInChI=1S/C14H26N4/c1-4-9-18-14(13(15)11(3)17-18)16-12-8-6-5-7-10(12)2/h10,12,16H,4-9,15H2,1-3H3
InChIKeyHPFNNGJHPDFOSA-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,3-dimethylcyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029219
1,3-dimethyl-5-N-(2-methylcyclohexyl)pyrazole-4,5-diamine
CID 43554062
5-N-(2-methoxycyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029779
3-methyl-5-N-(4-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
CID 66027024
3-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]cyclobutan-1-ol
CID 66029998
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
CID 114121291
3-methyl-5-N-(1-methylcyclopentyl)-1-propylpyrazole-4,5-diamine
CID 66029174
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027460
5-N-cyclohexyl-5-N-ethyl-3-methyl-1-propylpyrazole-4,5-diamine
CID 66013691
5-cyclopentyloxy-3-methyl-1-propylpyrazol-4-amine
CID 66029227
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine (CID 66028566) is 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NC1CCCCC1C.
What is the InChIKey of 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine?
The InChIKey is HPFNNGJHPDFOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-9-18-14(13(15)11(3)17-18)16-12-8-6-5-7-10(12)2/h10,12,16H,4-9,15H2,1-3H3.
What are the key properties of 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-(2-methylcyclohexyl)-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66028566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).