N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C17H21N3O3 — CID 75393426

IUPACN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)Cc2cc(C)[nH]n2)C2CC2)ccc1O
InChIInChI=1S/C17H21N3O3/c1-11-7-13(19-18-11)9-17(22)20(14-4-5-14)10-12-3-6-15(21)16(8-12)23-2/h3,6-8,14,21H,4-5,9-10H2,1-2H3,(H,18,19)
InChIKeyOPQDYJYEAMIAQO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.17
Rot. Bonds6

About N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75393426) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75393426
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1cc(CN(C(=O)Cc2cc(C)[nH]n2)C2CC2)ccc1O
InChIInChI=1S/C17H21N3O3/c1-11-7-13(19-18-11)9-17(22)20(14-4-5-14)10-12-3-6-15(21)16(8-12)23-2/h3,6-8,14,21H,4-5,9-10H2,1-2H3,(H,18,19)
InChIKeyOPQDYJYEAMIAQO-UHFFFAOYSA-N
XLogP2.17
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
4-[2-[3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]-2-methoxyphenol
CID 14578497
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)-N-methylacetamide
CID 122151629
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
CID 133497336
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
CID 38371290
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
5-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl]thiophene-3-carboxylic acid
CID 166275349
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75393426) is N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is COc1cc(CN(C(=O)Cc2cc(C)[nH]n2)C2CC2)ccc1O.
What is the InChIKey of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is OPQDYJYEAMIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-7-13(19-18-11)9-17(22)20(14-4-5-14)10-12-3-6-15(21)16(8-12)23-2/h3,6-8,14,21H,4-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75393426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).