N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

C18H16F2N4O3 — CID 118130752

IUPACN-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(OC)c(-c2cc(C(=O)Nc3c(F)cccc3F)[nH]n2)cn1
InChIInChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXKLBMHZMQRCPSS-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.41
Rot. Bonds6

About N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 118130752) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID118130752
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(OC)c(-c2cc(C(=O)Nc3c(F)cccc3F)[nH]n2)cn1
InChIInChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXKLBMHZMQRCPSS-UHFFFAOYSA-N
XLogP3.41
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
CID 123714290
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46948382
N-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 118130752) is N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is CCOc1cc(OC)c(-c2cc(C(=O)Nc3c(F)cccc3F)[nH]n2)cn1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XKLBMHZMQRCPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(26-2)10(9-21-16)13-7-14(24-23-13)18(25)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118130752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).