[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone

C17H21ClN4O — CID 124690290

IUPAC[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C[C@H]2C)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-11-9-13(19)7-8-21(11)17(23)14-10-20-22(12(14)2)16-6-4-3-5-15(16)18/h3-6,10-11,13H,7-9,19H2,1-2H3/t11-,13-/m1/s1
InChIKeyXGKNGJWMQRPORL-DGCLKSJQSA-N
MW332.84 g/mol
LogP2.79
Rot. Bonds2

About [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 124690290) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID124690290
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CC[C@@H](N)C[C@H]2C)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H21ClN4O/c1-11-9-13(19)7-8-21(11)17(23)14-10-20-22(12(14)2)16-6-4-3-5-15(16)18/h3-6,10-11,13H,7-9,19H2,1-2H3/t11-,13-/m1/s1
InChIKeyXGKNGJWMQRPORL-DGCLKSJQSA-N
XLogP2.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 124691927
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649893
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
(3R)-4-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125151497
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645720
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 126783721
[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 138031620
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 119662673
[1-(2-methoxyphenyl)-5-methylpyrazol-4-yl]-[(5S)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 99842601
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone (CID 124690290) is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone is Cc1c(C(=O)N2CC[C@@H](N)C[C@H]2C)cnn1-c1ccccc1Cl.
What is the InChIKey of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is XGKNGJWMQRPORL-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-9-13(19)7-8-21(11)17(23)14-10-20-22(12(14)2)16-6-4-3-5-15(16)18/h3-6,10-11,13H,7-9,19H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone?
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone has a molecular weight of 332.84 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 124690290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).