N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C20H27N3O3 — CID 91834430

IUPACN-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(CCO)Cc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14-18(15(2)22(3)21-14)13-23(11-12-24)19(25)20(9-10-20)16-5-7-17(26-4)8-6-16/h5-8,24H,9-13H2,1-4H3
InChIKeyKMDFEECSADGBAQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.10
Rot. Bonds7

About N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 91834430) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID91834430
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N(CCO)Cc3c(C)nn(C)c3C)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-14-18(15(2)22(3)21-14)13-23(11-12-24)19(25)20(9-10-20)16-5-7-17(26-4)8-6-16/h5-8,24H,9-13H2,1-4H3
InChIKeyKMDFEECSADGBAQ-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 91834430) is N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)N(CCO)Cc3c(C)nn(C)c3C)CC2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KMDFEECSADGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-18(15(2)22(3)21-14)13-23(11-12-24)19(25)20(9-10-20)16-5-7-17(26-4)8-6-16/h5-8,24H,9-13H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91834430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).