1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C12H19ClN4O — CID 54920320

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H19ClN4O/c1-8-10(11(13)16(2)15-8)7-17-5-3-4-9(6-17)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18)
InChIKeyXKCKVPFFAJNINJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.08
Rot. Bonds3

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 54920320) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID54920320
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1CN1CCCC(C(N)=O)C1
InChIInChI=1S/C12H19ClN4O/c1-8-10(11(13)16(2)15-8)7-17-5-3-4-9(6-17)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18)
InChIKeyXKCKVPFFAJNINJ-UHFFFAOYSA-N
XLogP1.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
ethyl 4-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29219326
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45209304
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
CID 128982989
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 54920320) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cc1nn(C)c(Cl)c1CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XKCKVPFFAJNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-10(11(13)16(2)15-8)7-17-5-3-4-9(6-17)12(14)18/h9H,3-7H2,1-2H3,(H2,14,18).
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 54920320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).