N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide

C17H16ClN5O4 — CID 87670209

IUPACN-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCOc1cc(COc2cc(N(Cl)C(=O)c3cnccn3)[nH]n2)cc(OC)c1
InChIInChI=1S/C17H16ClN5O4/c1-25-12-5-11(6-13(7-12)26-2)10-27-16-8-15(21-22-16)23(18)17(24)14-9-19-3-4-20-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyVZOROPDOHAWENN-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.60
Rot. Bonds7

About N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide

N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide (PubChem CID 87670209) has the molecular formula C17H16ClN5O4 and a molecular weight of 389.80 g/mol. Its IUPAC name is N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide
PubChem CID87670209
Molecular FormulaC17H16ClN5O4
Molecular Weight389.80 g/mol
Exact Mass389.09
IUPAC NameN-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide
SMILESCOc1cc(COc2cc(N(Cl)C(=O)c3cnccn3)[nH]n2)cc(OC)c1
InChIInChI=1S/C17H16ClN5O4/c1-25-12-5-11(6-13(7-12)26-2)10-27-16-8-15(21-22-16)23(18)17(24)14-9-19-3-4-20-14/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyVZOROPDOHAWENN-UHFFFAOYSA-N
XLogP2.60
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N'-[3-(3,5-dimethoxyphenyl)propanoyl]pyrazine-2-carbohydrazide
CID 42016381
N-hydroxy-N-methoxypyrazine-2-carboxamide
CID 54209854
N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]-5-(4-ethylpiperazin-1-yl)thiophene-2-carboxamide
CID 24962638
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide (CID 87670209) is N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide is COc1cc(COc2cc(N(Cl)C(=O)c3cnccn3)[nH]n2)cc(OC)c1.
What is the InChIKey of N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide?
The InChIKey is VZOROPDOHAWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O4/c1-25-12-5-11(6-13(7-12)26-2)10-27-16-8-15(21-22-16)23(18)17(24)14-9-19-3-4-20-14/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide?
N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 389.80 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[3-[(3,5-dimethoxyphenyl)methoxy]-1H-pyrazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 87670209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).