1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C11H19N3 — CID 107384385

IUPAC1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCn1ncc2c1CCCCC2NC
InChIInChI=1S/C11H19N3/c1-3-14-11-7-5-4-6-10(12-2)9(11)8-13-14/h8,10,12H,3-7H2,1-2H3
InChIKeyUUVUPESVIBVCLO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds2

About 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384385) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384385
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCn1ncc2c1CCCCC2NC
InChIInChI=1S/C11H19N3/c1-3-14-11-7-5-4-6-10(12-2)9(11)8-13-14/h8,10,12H,3-7H2,1-2H3
InChIKeyUUVUPESVIBVCLO-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 65356397
ethyl 2-[(4R)-4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 70924413
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
(4R)-1-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 95778690
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384414
1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778624
(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778566
(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 97181762
(4S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778611
(4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384385) is 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is CCn1ncc2c1CCCCC2NC.
What is the InChIKey of 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is UUVUPESVIBVCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14-11-7-5-4-6-10(12-2)9(11)8-13-14/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).