(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone

C9H11N5O — CID 122171463

IUPAC(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C(=O)n2cccn2)cc1N
InChIInChI=1S/C9H11N5O/c1-2-13-8(10)6-7(12-13)9(15)14-5-3-4-11-14/h3-6H,2,10H2,1H3
InChIKeyBGPBTSZRMWZAQR-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.37
Rot. Bonds2

About (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone

(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone (PubChem CID 122171463) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone
PubChem CID122171463
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCCn1nc(C(=O)n2cccn2)cc1N
InChIInChI=1S/C9H11N5O/c1-2-13-8(10)6-7(12-13)9(15)14-5-3-4-11-14/h3-6H,2,10H2,1H3
InChIKeyBGPBTSZRMWZAQR-UHFFFAOYSA-N
XLogP0.37
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-methyl 5-amino-1-ethylpyrazole-3-carbothioate
CID 117215487
(5-amino-1-ethylpyrazol-3-yl)-methylsulfonylmethanone
CID 117215438
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
CID 3508753
5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 122171449
5-amino-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 117215420
(3-chlorophenyl) 5-amino-1-ethylpyrazole-3-carboxylate
CID 117215464
N-methylpyrazole-1-carboxamide;propane
CID 90891150
(4-ethoxyphenyl)-pyrazol-1-ylmethanone
CID 3502430
(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
CID 4592598
(2-methylphenyl)-pyrazol-1-ylmethanone
CID 685230
1-ethyl-3-nitropyrazol-5-amine
CID 146680468

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone (CID 122171463) is (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone is CCn1nc(C(=O)n2cccn2)cc1N.
What is the InChIKey of (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The InChIKey is BGPBTSZRMWZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-13-8(10)6-7(12-13)9(15)14-5-3-4-11-14/h3-6H,2,10H2,1H3.
What are the key properties of (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
(5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone has a molecular weight of 205.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-ethylpyrazol-3-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 122171463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).