(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C16H29N3O — CID 107191239

IUPAC(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3O/c1-5-10-19-15(13(20-4)11-18-19)14(17)12-8-6-7-9-16(12,2)3/h11-12,14H,5-10,17H2,1-4H3
InChIKeyXISHBCXRGZDUES-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.52
Rot. Bonds5

About (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 107191239) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID107191239
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3O/c1-5-10-19-15(13(20-4)11-18-19)14(17)12-8-6-7-9-16(12,2)3/h11-12,14H,5-10,17H2,1-4H3
InChIKeyXISHBCXRGZDUES-UHFFFAOYSA-N
XLogP3.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105187165
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
[(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253412
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
CID 114660442
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 107191174
2-[5-[amino-(2,2-dimethylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190917
(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105187091
[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 107191239) is (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is XISHBCXRGZDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-10-19-15(13(20-4)11-18-19)14(17)12-8-6-7-9-16(12,2)3/h11-12,14H,5-10,17H2,1-4H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 107191239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).