(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C15H19N5O — CID 72869094

IUPAC(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCc3[nH]nc(CC)c3C2)cn1
InChIInChI=1S/C15H19N5O/c1-3-12-11-9-20(6-5-13(11)19-18-12)15(21)10-7-16-14(4-2)17-8-10/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyROIXDPORVLKVPZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 72869094) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID72869094
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCc3[nH]nc(CC)c3C2)cn1
InChIInChI=1S/C15H19N5O/c1-3-12-11-9-20(6-5-13(11)19-18-12)15(21)10-7-16-14(4-2)17-8-10/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyROIXDPORVLKVPZ-UHFFFAOYSA-N
XLogP1.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 39755711
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 122570445
2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 131900832
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 56716529
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 118493473
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464
3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 118761559
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 72869094) is (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is CCc1ncc(C(=O)N2CCc3[nH]nc(CC)c3C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is ROIXDPORVLKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-12-11-9-20(6-5-13(11)19-18-12)15(21)10-7-16-14(4-2)17-8-10/h7-8H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72869094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).