(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

C14H23ClN4O — CID 119999596

IUPAC(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-10-12(9-16-17-10)14(19)18-7-4-11(5-8-18)13-3-2-6-15-13;/h9,11,13,15H,2-8H2,1H3,(H,16,17);1H
InChIKeyAZUDDSIOEGQXTC-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.74
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride

(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119999596) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119999596
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
SMILESCc1[nH]ncc1C(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-10-12(9-16-17-10)14(19)18-7-4-11(5-8-18)13-3-2-6-15-13;/h9,11,13,15H,2-8H2,1H3,(H,16,17);1H
InChIKeyAZUDDSIOEGQXTC-UHFFFAOYSA-N
XLogP1.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
(4-methyl-1,3-thiazol-5-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55167631
(4-pyrrolidin-2-ylpiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63259075

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride (CID 119999596) is (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is Cc1[nH]ncc1C(=O)N1CCC(C2CCCN2)CC1.Cl.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is AZUDDSIOEGQXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-10-12(9-16-17-10)14(19)18-7-4-11(5-8-18)13-3-2-6-15-13;/h9,11,13,15H,2-8H2,1H3,(H,16,17);1H.
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride?
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119999596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).