2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane

C15H24ClN3 — CID 79118582

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
SMILESCc1nn(C)c(CC2(C3CC3)CCCCCN2)c1Cl
InChIInChI=1S/C15H24ClN3/c1-11-14(16)13(19(2)18-11)10-15(12-6-7-12)8-4-3-5-9-17-15/h12,17H,3-10H2,1-2H3
InChIKeyWVVUCTVSYGGHNX-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.24
Rot. Bonds3

About 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane (PubChem CID 79118582) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
PubChem CID79118582
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
SMILESCc1nn(C)c(CC2(C3CC3)CCCCCN2)c1Cl
InChIInChI=1S/C15H24ClN3/c1-11-14(16)13(19(2)18-11)10-15(12-6-7-12)8-4-3-5-9-17-15/h12,17H,3-10H2,1-2H3
InChIKeyWVVUCTVSYGGHNX-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane 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

4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79117227
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propylazepane
CID 79118751
2-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 79117652
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
2-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropylazepane
CID 106868498
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane (CID 79118582) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane is Cc1nn(C)c(CC2(C3CC3)CCCCCN2)c1Cl.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane?
The InChIKey is WVVUCTVSYGGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11-14(16)13(19(2)18-11)10-15(12-6-7-12)8-4-3-5-9-17-15/h12,17H,3-10H2,1-2H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane has a molecular weight of 281.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane is sourced from PubChem (CID 79118582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).