1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one

C13H21N5O — CID 134790097

IUPAC1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCn1nccc1CN1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H21N5O/c1-16-12(2-5-15-16)10-17-7-3-11(4-8-17)18-9-6-14-13(18)19/h2,5,11H,3-4,6-10H2,1H3,(H,14,19)
InChIKeyIIMQTAWECMMCDK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds3

About 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 134790097) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID134790097
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCn1nccc1CN1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H21N5O/c1-16-12(2-5-15-16)10-17-7-3-11(4-8-17)18-9-6-14-13(18)19/h2,5,11H,3-4,6-10H2,1H3,(H,14,19)
InChIKeyIIMQTAWECMMCDK-UHFFFAOYSA-N
XLogP0.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50979020
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
4-ethyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 53505648
N-(1H-pyrazol-5-ylmethyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53506345
3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 71892817
1-(1H-pyrazol-5-ylmethyl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893202
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-1,8-diazaspiro[4.5]decane
CID 118739025

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 134790097) is 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one is Cn1nccc1CN1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is IIMQTAWECMMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16-12(2-5-15-16)10-17-7-3-11(4-8-17)18-9-6-14-13(18)19/h2,5,11H,3-4,6-10H2,1H3,(H,14,19).
What are the key properties of 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 134790097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).