N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine

C18H33N3 — CID 28515838

IUPACN-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCCCCCCCC1
InChIInChI=1S/C18H33N3/c1-15-18(16(2)21(3)20-15)19-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,19H,4-14H2,1-3H3
InChIKeyHURUQNZYWCHIAR-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.12
Rot. Bonds2

About N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine

N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28515838) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
PubChem CID28515838
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCCCCCCCC1
InChIInChI=1S/C18H33N3/c1-15-18(16(2)21(3)20-15)19-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,19H,4-14H2,1-3H3
InChIKeyHURUQNZYWCHIAR-UHFFFAOYSA-N
XLogP5.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine (CID 28515838) is N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC1CCCCCCCCCCC1.
What is the InChIKey of N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is HURUQNZYWCHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15-18(16(2)21(3)20-15)19-17-13-11-9-7-5-4-6-8-10-12-14-17/h17,19H,4-14H2,1-3H3.
What are the key properties of N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine?
N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 291.48 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28515838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).