5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine

C13H24N4 — CID 61444659

IUPAC5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)CC2CCCCC2)c1N
InChIInChI=1S/C13H24N4/c1-10-12(14)13(17(3)15-10)16(2)9-11-7-5-4-6-8-11/h11H,4-9,14H2,1-3H3
InChIKeyHLYKJFASYNXXSL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.33
Rot. Bonds3

About 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine

5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine (PubChem CID 61444659) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
PubChem CID61444659
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)CC2CCCCC2)c1N
InChIInChI=1S/C13H24N4/c1-10-12(14)13(17(3)15-10)16(2)9-11-7-5-4-6-8-11/h11H,4-9,14H2,1-3H3
InChIKeyHLYKJFASYNXXSL-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,1,3-trimethyl-5-N-(oxan-4-ylmethyl)pyrazole-4,5-diamine
CID 55228543
5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
CID 66011650
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
3-[5-[cyclohexylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 76904307
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
CID 54993676
4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125149
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027665

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine (CID 61444659) is 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine is Cc1nn(C)c(N(C)CC2CCCCC2)c1N.
What is the InChIKey of 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
The InChIKey is HLYKJFASYNXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-12(14)13(17(3)15-10)16(2)9-11-7-5-4-6-8-11/h11H,4-9,14H2,1-3H3.
What are the key properties of 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine?
5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-5-N,1,3-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 61444659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).