(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

C9H12ClN3O — CID 63390634

IUPAC(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(Cl)CC1
InChIInChI=1S/C9H12ClN3O/c10-8-1-3-13(4-2-8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12)
InChIKeyHXCOUECSLIZYCE-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.25
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 63390634) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID63390634
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(Cl)CC1
InChIInChI=1S/C9H12ClN3O/c10-8-1-3-13(4-2-8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12)
InChIKeyHXCOUECSLIZYCE-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
2-methyl-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876957
[2-(chloromethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63395147
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 54876820
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019766

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 63390634) is (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is HXCOUECSLIZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-1-3-13(4-2-8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12).
What are the key properties of (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 213.67 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 63390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).