(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

C17H30ClN3 — CID 114655573

IUPAC(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30ClN3/c1-11(2)21-16(14(18)10-20-21)15(19)12-6-8-13(9-7-12)17(3,4)5/h10-13,15H,6-9,19H2,1-5H3
InChIKeyZVZWZOUKBZVZCF-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.97
Rot. Bonds3

About (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 114655573) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID114655573
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H30ClN3/c1-11(2)21-16(14(18)10-20-21)15(19)12-6-8-13(9-7-12)17(3,4)5/h10-13,15H,6-9,19H2,1-5H3
InChIKeyZVZWZOUKBZVZCF-UHFFFAOYSA-N
XLogP4.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 114655712
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661599
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345692
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667704
1-adamantyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114649892

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (CID 114655573) is (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is CC(C)n1ncc(Cl)c1C(N)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is ZVZWZOUKBZVZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-11(2)21-16(14(18)10-20-21)15(19)12-6-8-13(9-7-12)17(3,4)5/h10-13,15H,6-9,19H2,1-5H3.
What are the key properties of (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 311.90 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114655573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).