4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C15H28N4 — CID 115346103

IUPAC4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H28N4/c1-18(2)10-8-13(16)12-14-9-11-19(17-14)15-6-4-3-5-7-15/h9,11,13,15H,3-8,10,12,16H2,1-2H3
InChIKeyLFSSXMXGCFRYJG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.21
Rot. Bonds6

About 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine

4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 115346103) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID115346103
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H28N4/c1-18(2)10-8-13(16)12-14-9-11-19(17-14)15-6-4-3-5-7-15/h9,11,13,15H,3-8,10,12,16H2,1-2H3
InChIKeyLFSSXMXGCFRYJG-UHFFFAOYSA-N
XLogP2.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
1-(1-cyclohexylpyrazol-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 104987856
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 115346103) is 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CN(C)CCC(N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is LFSSXMXGCFRYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18(2)10-8-13(16)12-14-9-11-19(17-14)15-6-4-3-5-7-15/h9,11,13,15H,3-8,10,12,16H2,1-2H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115346103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).