4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C16H23N5O4 — CID 56717761

IUPAC4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCCC1(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H23N5O4/c1-2-5-16(14(24)18-15(25)19-16)11-3-6-21(7-4-11)9-10-8-17-20-12(10)13(22)23/h8,11H,2-7,9H2,1H3,(H,17,20)(H,22,23)(H2,18,19,24,25)
InChIKeyVJHMODYIVNMGRL-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.70
Rot. Bonds6

About 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56717761) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID56717761
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCCC1(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H23N5O4/c1-2-5-16(14(24)18-15(25)19-16)11-3-6-21(7-4-11)9-10-8-17-20-12(10)13(22)23/h8,11H,2-7,9H2,1H3,(H,17,20)(H,22,23)(H2,18,19,24,25)
InChIKeyVJHMODYIVNMGRL-UHFFFAOYSA-N
XLogP0.70
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
4-[(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 138386727
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 77094932
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097
5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 45183704
5-ethyl-5-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56718903
4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 131913931
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 56717761) is 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is CCCC1(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)NC(=O)NC1=O.
What is the InChIKey of 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is VJHMODYIVNMGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-2-5-16(14(24)18-15(25)19-16)11-3-6-21(7-4-11)9-10-8-17-20-12(10)13(22)23/h8,11H,2-7,9H2,1H3,(H,17,20)(H,22,23)(H2,18,19,24,25).
What are the key properties of 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56717761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).