2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride

C10H17ClN4O — CID 71298688

IUPAC2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.Nc1cnn(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C10H16N4O.ClH/c11-9-6-12-14(7-9)8-10(15)13-4-2-1-3-5-13;/h6-7H,1-5,8,11H2;1H
InChIKeyRVXDQLSUSSMJMY-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.90
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride

2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 71298688) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride
PubChem CID71298688
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.Nc1cnn(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C10H16N4O.ClH/c11-9-6-12-14(7-9)8-10(15)13-4-2-1-3-5-13;/h6-7H,1-5,8,11H2;1H
InChIKeyRVXDQLSUSSMJMY-UHFFFAOYSA-N
XLogP0.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
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CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
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2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 89717616

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride (CID 71298688) is 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride is Cl.Nc1cnn(CC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is RVXDQLSUSSMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c11-9-6-12-14(7-9)8-10(15)13-4-2-1-3-5-13;/h6-7H,1-5,8,11H2;1H.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride?
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 71298688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).