1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one

C16H21N5O — CID 75500054

IUPAC1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one
SMILESCCn1cc(CNc2ccccc2CN2CCNC2=O)cn1
InChIInChI=1S/C16H21N5O/c1-2-21-11-13(10-19-21)9-18-15-6-4-3-5-14(15)12-20-8-7-17-16(20)22/h3-6,10-11,18H,2,7-9,12H2,1H3,(H,17,22)
InChIKeyZQMYAZYPXUUZFW-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.04
Rot. Bonds6

About 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one

1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one (PubChem CID 75500054) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one
PubChem CID75500054
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one
SMILESCCn1cc(CNc2ccccc2CN2CCNC2=O)cn1
InChIInChI=1S/C16H21N5O/c1-2-21-11-13(10-19-21)9-18-15-6-4-3-5-14(15)12-20-8-7-17-16(20)22/h3-6,10-11,18H,2,7-9,12H2,1H3,(H,17,22)
InChIKeyZQMYAZYPXUUZFW-UHFFFAOYSA-N
XLogP2.04
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
1-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]imidazolidin-2-one
CID 86785219
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
CID 166211641
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 166204417
2-(3-methylphenyl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 75472823
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 97305994

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one (CID 75500054) is 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one is CCn1cc(CNc2ccccc2CN2CCNC2=O)cn1.
What is the InChIKey of 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one?
The InChIKey is ZQMYAZYPXUUZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-21-11-13(10-19-21)9-18-15-6-4-3-5-14(15)12-20-8-7-17-16(20)22/h3-6,10-11,18H,2,7-9,12H2,1H3,(H,17,22).
What are the key properties of 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one?
1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one has a molecular weight of 299.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 75500054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).