4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one

C10H11N5O — CID 138390744

IUPAC4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1c1cnn(C)c1
InChIInChI=1S/C10H11N5O/c1-3-4-15-8(9(11)13-10(15)16)7-5-12-14(2)6-7/h1,5-6,8H,4H2,2H3,(H2,11,13,16)
InChIKeyHFSBNKISLNBTCO-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.10
Rot. Bonds2

About 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one

4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one (PubChem CID 138390744) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one
PubChem CID138390744
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1c1cnn(C)c1
InChIInChI=1S/C10H11N5O/c1-3-4-15-8(9(11)13-10(15)16)7-5-12-14(2)6-7/h1,5-6,8H,4H2,2H3,(H2,11,13,16)
InChIKeyHFSBNKISLNBTCO-UHFFFAOYSA-N
XLogP0.10
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
5-amino-4-(1-propylpyrazol-4-yl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 103573677
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
1-(cyclopropylmethyl)-4-imino-5-(3-methylimidazol-4-yl)imidazolidin-2-one
CID 138389986
1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389849
1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one
CID 138391120
5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390703
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388440
1-methyl-4-prop-2-ynylsulfanylpyrazole
CID 61385032

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one (CID 138390744) is 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC#C)C1c1cnn(C)c1.
What is the InChIKey of 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one?
The InChIKey is HFSBNKISLNBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-3-4-15-8(9(11)13-10(15)16)7-5-12-14(2)6-7/h1,5-6,8H,4H2,2H3,(H2,11,13,16).
What are the key properties of 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one?
4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one has a molecular weight of 217.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(1-methylpyrazol-4-yl)-1-prop-2-ynylimidazolidin-2-one is sourced from PubChem (CID 138390744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).