(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone

C12H14N4O — CID 105085413

IUPAC(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
SMILESCCc1cc(C(=O)c2cncnc2)n(CC)n1
InChIInChI=1S/C12H14N4O/c1-3-10-5-11(16(4-2)15-10)12(17)9-6-13-8-14-7-9/h5-8H,3-4H2,1-2H3
InChIKeyUGKYUFNRIQCGRF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone

(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone (PubChem CID 105085413) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
PubChem CID105085413
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
SMILESCCc1cc(C(=O)c2cncnc2)n(CC)n1
InChIInChI=1S/C12H14N4O/c1-3-10-5-11(16(4-2)15-10)12(17)9-6-13-8-14-7-9/h5-8H,3-4H2,1-2H3
InChIKeyUGKYUFNRIQCGRF-UHFFFAOYSA-N
XLogP1.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085414
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
CID 105096952
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
CID 105097408
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
CID 105121799

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone (CID 105085413) is (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone is CCc1cc(C(=O)c2cncnc2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
The InChIKey is UGKYUFNRIQCGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-10-5-11(16(4-2)15-10)12(17)9-6-13-8-14-7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone?
(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone has a molecular weight of 230.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 105085413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).