[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone

C15H25ClN4O — CID 114670290

IUPAC[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H25ClN4O/c1-19(2)7-8-20-14(13(16)10-18-20)15(21)12-5-3-11(9-17)4-6-12/h10-12H,3-9,17H2,1-2H3
InChIKeyIEEBVFKFUUJYRL-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.05
Rot. Bonds6

About [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone

[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone (PubChem CID 114670290) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
PubChem CID114670290
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
SMILESCN(C)CCn1ncc(Cl)c1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H25ClN4O/c1-19(2)7-8-20-14(13(16)10-18-20)15(21)12-5-3-11(9-17)4-6-12/h10-12H,3-9,17H2,1-2H3
InChIKeyIEEBVFKFUUJYRL-UHFFFAOYSA-N
XLogP2.05
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone with MolForge

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylethanone
CID 114641756
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(oxolan-3-yl)methanone
CID 114640596
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
CID 114641317
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 114641570
(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583
6-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-one
CID 114668172
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone (CID 114670290) is [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone is CN(C)CCn1ncc(Cl)c1C(=O)C1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone?
The InChIKey is IEEBVFKFUUJYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-19(2)7-8-20-14(13(16)10-18-20)15(21)12-5-3-11(9-17)4-6-12/h10-12H,3-9,17H2,1-2H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone?
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone has a molecular weight of 312.85 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone is sourced from PubChem (CID 114670290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).