N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine

C16H29N3 — CID 43104717

IUPACN-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-11-15(12(2)19(6)18-11)17-14-10-8-7-9-13(14)16(3,4)5/h13-14,17H,7-10H2,1-6H3
InChIKeyVLZVRFSZHFDYAD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.05
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine

N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43104717) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID43104717
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-11-15(12(2)19(6)18-11)17-14-10-8-7-9-13(14)16(3,4)5/h13-14,17H,7-10H2,1-6H3
InChIKeyVLZVRFSZHFDYAD-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine (CID 43104717) is N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is VLZVRFSZHFDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-15(12(2)19(6)18-11)17-14-10-8-7-9-13(14)16(3,4)5/h13-14,17H,7-10H2,1-6H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43104717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).