1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride

C17H26ClN5O2 — CID 146051898

IUPAC1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)c2nn(CC3CC3)c3c2CNCC3)CC1.Cl
InChIInChI=1S/C17H25N5O2.ClH/c1-12(23)20-6-8-21(9-7-20)17(24)16-14-10-18-5-4-15(14)22(19-16)11-13-2-3-13;/h13,18H,2-11H2,1H3;1H
InChIKeyIXIMGKUAQIRTAS-UHFFFAOYSA-N
MW367.88 g/mol
LogP0.66
Rot. Bonds3

About 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride

1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride (PubChem CID 146051898) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride
PubChem CID146051898
Molecular FormulaC17H26ClN5O2
Molecular Weight367.88 g/mol
Exact Mass367.18
IUPAC Name1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)c2nn(CC3CC3)c3c2CNCC3)CC1.Cl
InChIInChI=1S/C17H25N5O2.ClH/c1-12(23)20-6-8-21(9-7-20)17(24)16-14-10-18-5-4-15(14)22(19-16)11-13-2-3-13;/h13,18H,2-11H2,1H3;1H
InChIKeyIXIMGKUAQIRTAS-UHFFFAOYSA-N
XLogP0.66
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 176515483
[1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146051903
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
3-cycloheptyl-1-(cycloheptylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 123485862
N-(cyclohexylmethyl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 146051904
methyl 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 105462928
1-[4-[3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-1-yl]ethanone
CID 45162099
1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043
N-cyclopropyl-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperidine-3-carboxamide
CID 25220700
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-methoxyethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 124938633
1-ethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 105448942
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride (CID 146051898) is 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(C(=O)c2nn(CC3CC3)c3c2CNCC3)CC1.Cl.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is IXIMGKUAQIRTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.ClH/c1-12(23)20-6-8-21(9-7-20)17(24)16-14-10-18-5-4-15(14)22(19-16)11-13-2-3-13;/h13,18H,2-11H2,1H3;1H.
What are the key properties of 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride?
1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 146051898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).