5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide

C16H23N5O2 — CID 31886760

IUPAC5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cnn(-c2ccc(OC)nn2)c1CC
InChIInChI=1S/C16H23N5O2/c1-5-7-11(3)18-16(22)12-10-17-21(13(12)6-2)14-8-9-15(23-4)20-19-14/h8-11H,5-7H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyKRVZWQAVZRXNRH-LLVKDONJSA-N
MW317.39 g/mol
LogP2.15
Rot. Bonds7

About 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide (PubChem CID 31886760) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
PubChem CID31886760
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cnn(-c2ccc(OC)nn2)c1CC
InChIInChI=1S/C16H23N5O2/c1-5-7-11(3)18-16(22)12-10-17-21(13(12)6-2)14-8-9-15(23-4)20-19-14/h8-11H,5-7H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyKRVZWQAVZRXNRH-LLVKDONJSA-N
XLogP2.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 31857426
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]methanone
CID 31851380
N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31885461
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31903299
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31991225
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 39316484

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide (CID 31886760) is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide is CCC[C@@H](C)NC(=O)c1cnn(-c2ccc(OC)nn2)c1CC.
What is the InChIKey of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide?
The InChIKey is KRVZWQAVZRXNRH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-7-11(3)18-16(22)12-10-17-21(13(12)6-2)14-8-9-15(23-4)20-19-14/h8-11H,5-7H2,1-4H3,(H,18,22)/t11-/m1/s1.
What are the key properties of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide?
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 31886760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).