trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide

C22H24N4O2 — CID 92583705

IUPACtrans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C22H24N4O2/c1-15-11-19(15)22(27)24-9-10-26-21(16-5-3-7-18(12-16)28-2)13-20(25-26)17-6-4-8-23-14-17/h3-8,12-15,19H,9-11H2,1-2H3,(H,24,27)/t15-,19-/m0/s1
InChIKeyZDRNWOFLYQQMDE-KXBFYZLASA-N
MW376.46 g/mol
LogP3.39
Rot. Bonds7

About trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 92583705) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID92583705
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Nametrans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H]2C[C@@H]2C)c1
InChIInChI=1S/C22H24N4O2/c1-15-11-19(15)22(27)24-9-10-26-21(16-5-3-7-18(12-16)28-2)13-20(25-26)17-6-4-8-23-14-17/h3-8,12-15,19H,9-11H2,1-2H3,(H,24,27)/t15-,19-/m0/s1
InChIKeyZDRNWOFLYQQMDE-KXBFYZLASA-N
XLogP3.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753
N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 92600380
(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
CID 92582699
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
(3R)-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 92570815
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924557
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
CID 110217969

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide (CID 92583705) is trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide is COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H]2C[C@@H]2C)c1.
What is the InChIKey of trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is ZDRNWOFLYQQMDE-KXBFYZLASA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-11-19(15)22(27)24-9-10-26-21(16-5-3-7-18(12-16)28-2)13-20(25-26)17-6-4-8-23-14-17/h3-8,12-15,19H,9-11H2,1-2H3,(H,24,27)/t15-,19-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 92583705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).