(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone

C9H11N5O — CID 65360718

IUPAC(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H11N5O/c1-2-14-4-3-11-9(14)7(15)6-5-12-13-8(6)10/h3-5H,2H2,1H3,(H3,10,12,13)
InChIKeyIKFXOMBCIKXGET-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.44
Rot. Bonds3

About (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 65360718) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
PubChem CID65360718
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H11N5O/c1-2-14-4-3-11-9(14)7(15)6-5-12-13-8(6)10/h3-5H,2H2,1H3,(H3,10,12,13)
InChIKeyIKFXOMBCIKXGET-UHFFFAOYSA-N
XLogP0.44
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 65360867
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
CID 116612792
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone (CID 65360718) is (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1cn[nH]c1N.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is IKFXOMBCIKXGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-14-4-3-11-9(14)7(15)6-5-12-13-8(6)10/h3-5H,2H2,1H3,(H3,10,12,13).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 65360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).