(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C14H25ClN4O — CID 119647002

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(C)nn2C)CC1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-4-15-10-12-5-7-18(8-6-12)14(19)13-9-11(2)16-17(13)3;/h9,12,15H,4-8,10H2,1-3H3;1H
InChIKeyKNNCTBOPWHTWMA-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.61
Rot. Bonds4

About (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119647002) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119647002
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(C)nn2C)CC1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-4-15-10-12-5-7-18(8-6-12)14(19)13-9-11(2)16-17(13)3;/h9,12,15H,4-8,10H2,1-3H3;1H
InChIKeyKNNCTBOPWHTWMA-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
[4-(ethylaminomethyl)piperidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671661

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119647002) is (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2cc(C)nn2C)CC1.Cl.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KNNCTBOPWHTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-4-15-10-12-5-7-18(8-6-12)14(19)13-9-11(2)16-17(13)3;/h9,12,15H,4-8,10H2,1-3H3;1H.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119647002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).