1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

C14H23N3 — CID 115857909

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)C1C2CCCCC21
InChIInChI=1S/C14H23N3/c1-3-17-12(8-9-16-17)14(15-2)13-10-6-4-5-7-11(10)13/h8-11,13-15H,3-7H2,1-2H3
InChIKeyBEEGEGMLGUPTIZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.60
Rot. Bonds4

About 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine

1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 115857909) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID115857909
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)C1C2CCCCC21
InChIInChI=1S/C14H23N3/c1-3-17-12(8-9-16-17)14(15-2)13-10-6-4-5-7-11(10)13/h8-11,13-15H,3-7H2,1-2H3
InChIKeyBEEGEGMLGUPTIZ-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-bicyclo[4.1.0]heptanyl-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307270
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858379
1-(1,1-dioxothian-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115858133
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
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-2-methoxy-N-methylethanamine
CID 116722271
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79092954
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine (CID 115857909) is 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is CCn1nccc1C(NC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is BEEGEGMLGUPTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17-12(8-9-16-17)14(15-2)13-10-6-4-5-7-11(10)13/h8-11,13-15H,3-7H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115857909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).