1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C16H29N3 — CID 65423027

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCCn1nccc1C(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-19-15(10-11-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3
InChIKeySLAWGARIWBZKII-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.63
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 65423027) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID65423027
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCCn1nccc1C(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H29N3/c1-5-19-15(10-11-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3
InChIKeySLAWGARIWBZKII-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-(2,3-dihydro-1H-inden-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 65410721
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857909
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
CID 105148124
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
1-(1,1-dioxothian-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115858133
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79092954
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 65423027) is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CCn1nccc1C(NC)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is SLAWGARIWBZKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-15(10-11-18-19)16(17-4)14-8-6-13(7-9-14)12(2)3/h10-14,16-17H,5-9H2,1-4H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 65423027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).