1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one

C17H29N5O — CID 170073710

IUPAC1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one
SMILESCC1(C)CN([C@@H]2CC[C@H](c3cc(N)n(C(C)(C)C)n3)C2)C(=O)N1
InChIInChI=1S/C17H29N5O/c1-16(2,3)22-14(18)9-13(20-22)11-6-7-12(8-11)21-10-17(4,5)19-15(21)23/h9,11-12H,6-8,10,18H2,1-5H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyXXHNDLWEXYCUSK-NWDGAFQWSA-N
MW319.45 g/mol
LogP2.66
Rot. Bonds2

About 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one

1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one (PubChem CID 170073710) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one
PubChem CID170073710
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one
SMILESCC1(C)CN([C@@H]2CC[C@H](c3cc(N)n(C(C)(C)C)n3)C2)C(=O)N1
InChIInChI=1S/C17H29N5O/c1-16(2,3)22-14(18)9-13(20-22)11-6-7-12(8-11)21-10-17(4,5)19-15(21)23/h9,11-12H,6-8,10,18H2,1-5H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyXXHNDLWEXYCUSK-NWDGAFQWSA-N
XLogP2.66
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72837841
1-[2-(Dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
CID 75500177
2-acetamido-N-(5-cyclopentyl-2-methylpyrazol-3-yl)acetamide
CID 86786682
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 97228790
2-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 47069540
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867150
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N'-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N-methylurea
CID 118764524
N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrrolidine-1-carboxamide
CID 9859741
N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-methylpiperazine-1-carboxamide
CID 9925598
1-Acetyl-2(3-isopropyl-1-methyl-5-pyrazolyl)amino-2-imidazoline
CID 12763787
1-Acetyl-2-(1,3-di-isopropyl-5-pyrazolyl) amino-2-imidazoline
CID 12763790
1-[3-[[1,3-Di(propan-2-yl)pyrazol-5-yl]amino]imidazolidin-1-yl]ethanone
CID 53668848

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one (CID 170073710) is 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one is CC1(C)CN([C@@H]2CC[C@H](c3cc(N)n(C(C)(C)C)n3)C2)C(=O)N1.
What is the InChIKey of 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one?
The InChIKey is XXHNDLWEXYCUSK-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H29N5O/c1-16(2,3)22-14(18)9-13(20-22)11-6-7-12(8-11)21-10-17(4,5)19-15(21)23/h9,11-12H,6-8,10,18H2,1-5H3,(H,19,23)/t11-,12+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one?
1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]-4,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 170073710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).