4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one

C10H17N3O — CID 83856954

IUPAC4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC2CCCCN2)[nH][nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7-9(12-13-10(7)14)6-8-4-2-3-5-11-8/h8,11H,2-6H2,1H3,(H2,12,13,14)
InChIKeyJVMMMVCNVNQTQD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.70
Rot. Bonds2

About 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one

4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 83856954) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID83856954
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC2CCCCN2)[nH][nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7-9(12-13-10(7)14)6-8-4-2-3-5-11-8/h8,11H,2-6H2,1H3,(H2,12,13,14)
InChIKeyJVMMMVCNVNQTQD-UHFFFAOYSA-N
XLogP0.70
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
CID 83871168
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-methyl-5-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 83847605
4-ethyl-5-methyl-6-(piperidin-2-ylmethyl)pyrimidine
CID 83849476
5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
4-methyl-3-(pyrrolidin-2-ylmethyl)-4H-1,2-oxazol-5-one
CID 83857125
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
4-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117332934
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one (CID 83856954) is 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one is Cc1c(CC2CCCCN2)[nH][nH]c1=O.
What is the InChIKey of 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is JVMMMVCNVNQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(12-13-10(7)14)6-8-4-2-3-5-11-8/h8,11H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one?
4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidin-2-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 83856954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).