N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C17H25N5O3 — CID 97115371

IUPACN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyDEKFHDZCGQKGEW-CQSZACIVSA-N
MW347.42 g/mol
LogP1.07
Rot. Bonds6

About N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide

N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 97115371) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID97115371
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1
InChIKeyDEKFHDZCGQKGEW-CQSZACIVSA-N
XLogP1.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70773988
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 124752238
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
N-(2-chloroethyl)-N-cyclohexyl-1-methylpyrazole-4-carboxamide
CID 55186075
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 97115371) is N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cn1cc(CN(C(=O)CC[C@H]2NC(=O)NC2=O)C2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is DEKFHDZCGQKGEW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21-10-12(9-18-21)11-22(13-5-3-2-4-6-13)15(23)8-7-14-16(24)20-17(25)19-14/h9-10,13-14H,2-8,11H2,1H3,(H2,19,20,24,25)/t14-/m1/s1.
What are the key properties of N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 97115371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).