(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine

C17H30ClN3 — CID 81388662

IUPAC(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
SMILESCCc1nn(CC)c(CN[C@H](C)C2CCCCCC2)c1Cl
InChIInChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(5-2)20-15)12-19-13(3)14-10-8-6-7-9-11-14/h13-14,19H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyZVTONDHMBDRLJY-CYBMUJFWSA-N
MW311.90 g/mol
LogP4.57
Rot. Bonds6

About (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine

(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine (PubChem CID 81388662) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
PubChem CID81388662
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
SMILESCCc1nn(CC)c(CN[C@H](C)C2CCCCCC2)c1Cl
InChIInChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(5-2)20-15)12-19-13(3)14-10-8-6-7-9-11-14/h13-14,19H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyZVTONDHMBDRLJY-CYBMUJFWSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
5-(3-bromo-3-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 113390424
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105001487
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870634
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
CID 106344866
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
CID 79377561

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine?
The IUPAC name of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine (CID 81388662) is (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine.
What is the SMILES notation for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine?
The canonical SMILES for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine is CCc1nn(CC)c(CN[C@H](C)C2CCCCCC2)c1Cl.
What is the InChIKey of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine?
The InChIKey is ZVTONDHMBDRLJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-4-15-17(18)16(21(5-2)20-15)12-19-13(3)14-10-8-6-7-9-11-14/h13-14,19H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine?
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine has a molecular weight of 311.90 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine is sourced from PubChem (CID 81388662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).