1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide

C22H23N7O2 — CID 31358493

IUPAC1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)c2C)nn1
InChIInChI=1S/C22H23N7O2/c1-4-31-19-11-10-18(26-27-19)29-15(2)17(14-24-29)22(30)25-20(16-8-6-5-7-9-16)21-23-12-13-28(21)3/h5-14,20H,4H2,1-3H3,(H,25,30)/t20-/m0/s1
InChIKeyKWBAPDMNMPPAHL-FQEVSTJZSA-N
MW417.47 g/mol
LogP2.62
Rot. Bonds7

About 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide

1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide (PubChem CID 31358493) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
PubChem CID31358493
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)c2C)nn1
InChIInChI=1S/C22H23N7O2/c1-4-31-19-11-10-18(26-27-19)29-15(2)17(14-24-29)22(30)25-20(16-8-6-5-7-9-16)21-23-12-13-28(21)3/h5-14,20H,4H2,1-3H3,(H,25,30)/t20-/m0/s1
InChIKeyKWBAPDMNMPPAHL-FQEVSTJZSA-N
XLogP2.62
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 166227456
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55607536
2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641626
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 41037851
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792
2-[(4-fluorophenyl)methoxy]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25345660

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide (CID 31358493) is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide is CCOc1ccc(-n2ncc(C(=O)N[C@@H](c3ccccc3)c3nccn3C)c2C)nn1.
What is the InChIKey of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide?
The InChIKey is KWBAPDMNMPPAHL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-4-31-19-11-10-18(26-27-19)29-15(2)17(14-24-29)22(30)25-20(16-8-6-5-7-9-16)21-23-12-13-28(21)3/h5-14,20H,4H2,1-3H3,(H,25,30)/t20-/m0/s1.
What are the key properties of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide?
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31358493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).