ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide

C26H34N6O4 — CID 166129113

IUPACethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1ccc(NC(=O)C2CC2)cc1.COc1nn(CCO)cc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H15N5O2.C11H13NO2.C2H6/c1-20-13-11(8-18(17-13)6-7-19)14-12-9-4-2-3-5-10(9)15-16-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyCURFNOSDWIDXBD-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.57
Rot. Bonds8

About ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide

ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166129113) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166129113
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Nameethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1ccc(NC(=O)C2CC2)cc1.COc1nn(CCO)cc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C13H15N5O2.C11H13NO2.C2H6/c1-20-13-11(8-18(17-13)6-7-19)14-12-9-4-2-3-5-10(9)15-16-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyCURFNOSDWIDXBD-UHFFFAOYSA-N
XLogP4.57
TPSA126.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166129113) is ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide is CC.COc1ccc(NC(=O)C2CC2)cc1.COc1nn(CCO)cc1Nc1n[nH]c2ccccc12.
What is the InChIKey of ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is CURFNOSDWIDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.C11H13NO2.C2H6/c1-20-13-11(8-18(17-13)6-7-19)14-12-9-4-2-3-5-10(9)15-16-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16);4-8H,2-3H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.57, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166129113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).