2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C14H18ClN5O — CID 125013996

IUPAC2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1
InChIInChI=1S/C14H18ClN5O/c1-10-5-16-18-14(10)11-3-2-4-19(7-11)13(21)9-20-8-12(15)6-17-20/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyWJATVOWRKSVGDN-LLVKDONJSA-N
MW307.79 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 125013996) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID125013996
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1
InChIInChI=1S/C14H18ClN5O/c1-10-5-16-18-14(10)11-3-2-4-19(7-11)13(21)9-20-8-12(15)6-17-20/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyWJATVOWRKSVGDN-LLVKDONJSA-N
XLogP1.97
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127247469
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
5,5-dimethyl-3-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110106310
5,5-dimethyl-3-[2-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125007071
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(dimethylamino)azepan-1-yl]ethanone
CID 70709104
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110106276
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106293
2-(4-chloropyrazol-1-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103446

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 125013996) is 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is WJATVOWRKSVGDN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-10-5-16-18-14(10)11-3-2-4-19(7-11)13(21)9-20-8-12(15)6-17-20/h5-6,8,11H,2-4,7,9H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 307.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125013996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).