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

C17H23N3O3 — CID 110907482

IUPACN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C17H23N3O3/c1-12(2)14-10-15(19-18-14)17(22)20(8-9-21)11-13-6-4-5-7-16(13)23-3/h4-7,10,12,21H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyJOKNLBXLUJCEKL-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.18
Rot. Bonds7

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

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 110907482) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID110907482
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CN(CCO)C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C17H23N3O3/c1-12(2)14-10-15(19-18-14)17(22)20(8-9-21)11-13-6-4-5-7-16(13)23-3/h4-7,10,12,21H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyJOKNLBXLUJCEKL-UHFFFAOYSA-N
XLogP2.18
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 138995383
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
3-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]benzamide
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CID 110907491
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 110907502
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 110907473
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60952867

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 110907482) is N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccccc1CN(CCO)C(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JOKNLBXLUJCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)14-10-15(19-18-14)17(22)20(8-9-21)11-13-6-4-5-7-16(13)23-3/h4-7,10,12,21H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110907482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).