N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H23N3O4 — CID 60508847

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2cc(C(C)C)[nH]n2)c1
InChIInChI=1S/C17H23N3O4/c1-10(2)13-8-14(20-19-13)17(22)18-9-15(21)12-7-11(23-3)5-6-16(12)24-4/h5-8,10,15,21H,9H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyCDTMVFGADUOJMY-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 60508847) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID60508847
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2cc(C(C)C)[nH]n2)c1
InChIInChI=1S/C17H23N3O4/c1-10(2)13-8-14(20-19-13)17(22)18-9-15(21)12-7-11(23-3)5-6-16(12)24-4/h5-8,10,15,21H,9H2,1-4H3,(H,18,22)(H,19,20)
InChIKeyCDTMVFGADUOJMY-UHFFFAOYSA-N
XLogP2.01
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55654282
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 60508847) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)c2cc(C(C)C)[nH]n2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is CDTMVFGADUOJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)13-8-14(20-19-13)17(22)18-9-15(21)12-7-11(23-3)5-6-16(12)24-4/h5-8,10,15,21H,9H2,1-4H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60508847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).