N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

C19H27N5O2 — CID 110220546

IUPACN-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H27N5O2/c1-12-18(13(2)23(4)21-12)16-10-11-17(25)24(22-16)14(3)19(26)20-15-8-6-5-7-9-15/h10-11,14-15H,5-9H2,1-4H3,(H,20,26)
InChIKeyAFUKRROHDJTEKY-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.27
Rot. Bonds4

About N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide

N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (PubChem CID 110220546) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
PubChem CID110220546
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
SMILESCc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H27N5O2/c1-12-18(13(2)23(4)21-12)16-10-11-17(25)24(22-16)14(3)19(26)20-15-8-6-5-7-9-15/h10-11,14-15H,5-9H2,1-4H3,(H,20,26)
InChIKeyAFUKRROHDJTEKY-UHFFFAOYSA-N
XLogP2.27
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395180
5-hydroxy-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 46998021
N-(1-methyl-2-oxo-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72014460
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-cyclopentyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 73951416
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
N-cyclopropyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220529
N-tert-butyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220544
N-[(1S*,2R*)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 56915871
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 60179803
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70770761
N-(2-oxo-1H-pyridin-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72148884

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide (CID 110220546) is N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is Cc1nn(C)c(C)c1-c1ccc(=O)n(C(C)C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
The InChIKey is AFUKRROHDJTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-18(13(2)23(4)21-12)16-10-11-17(25)24(22-16)14(3)19(26)20-15-8-6-5-7-9-15/h10-11,14-15H,5-9H2,1-4H3,(H,20,26).
What are the key properties of N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide?
N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide is sourced from PubChem (CID 110220546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).