[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride

C17H27ClN6O — CID 119520864

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(C(C)N)CC2)[nH]n1.Cl
InChIInChI=1S/C17H26N6O.ClH/c1-10(18)13-5-7-23(8-6-13)17(24)15-9-14(19-20-15)16-11(2)21-22(4)12(16)3;/h9-10,13H,5-8,18H2,1-4H3,(H,19,20);1H
InChIKeyWFEXMYBKZVOJMH-UHFFFAOYSA-N
MW366.90 g/mol
LogP2.05
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride (PubChem CID 119520864) has the molecular formula C17H27ClN6O and a molecular weight of 366.90 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
PubChem CID119520864
Molecular FormulaC17H27ClN6O
Molecular Weight366.90 g/mol
Exact Mass366.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(C(C)N)CC2)[nH]n1.Cl
InChIInChI=1S/C17H26N6O.ClH/c1-10(18)13-5-7-23(8-6-13)17(24)15-9-14(19-20-15)16-11(2)21-22(4)12(16)3;/h9-10,13H,5-8,18H2,1-4H3,(H,19,20);1H
InChIKeyWFEXMYBKZVOJMH-UHFFFAOYSA-N
XLogP2.05
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724
[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119493717
ethyl 4-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 78880710
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 78879720
N-(2-amino-1-cyclopropylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119617698
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71708955
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 120749594
(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 119473561
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78880516
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879881

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride (CID 119520864) is [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(C(C)N)CC2)[nH]n1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The InChIKey is WFEXMYBKZVOJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O.ClH/c1-10(18)13-5-7-23(8-6-13)17(24)15-9-14(19-20-15)16-11(2)21-22(4)12(16)3;/h9-10,13H,5-8,18H2,1-4H3,(H,19,20);1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride has a molecular weight of 366.90 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119520864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).