(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone

C9H11N5O — CID 65360867

IUPAC(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cn[nH]c2N)cn1
InChIInChI=1S/C9H11N5O/c1-2-14-5-6(3-12-14)8(15)7-4-11-13-9(7)10/h3-5H,2H2,1H3,(H3,10,11,13)
InChIKeyMDBWLBWGWZTQCP-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.44
Rot. Bonds3

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

(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 65360867) 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-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID65360867
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)c2cn[nH]c2N)cn1
InChIInChI=1S/C9H11N5O/c1-2-14-5-6(3-12-14)8(15)7-4-11-13-9(7)10/h3-5H,2H2,1H3,(H3,10,11,13)
InChIKeyMDBWLBWGWZTQCP-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

1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
CID 65360718
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370
1-benzothiophen-3-yl-(1-ethylpyrazol-4-yl)methanone
CID 114964476
5-amino-N,N-dipropyl-1H-pyrazole-4-carboxamide
CID 43159428

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone (CID 65360867) is (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)c2cn[nH]c2N)cn1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is MDBWLBWGWZTQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-14-5-6(3-12-14)8(15)7-4-11-13-9(7)10/h3-5H,2H2,1H3,(H3,10,11,13).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-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-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 65360867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).