1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide

C20H19F2N5O2 — CID 119044309

IUPAC1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H19F2N5O2/c1-13-12-27(19-15(21)3-2-4-16(19)22)25-18(13)20(28)24-17-6-5-14(11-23-17)26-7-9-29-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,23,24,28)
InChIKeyQOOAXRQSCWSWQP-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.94
Rot. Bonds4

About 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 119044309) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID119044309
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H19F2N5O2/c1-13-12-27(19-15(21)3-2-4-16(19)22)25-18(13)20(28)24-17-6-5-14(11-23-17)26-7-9-29-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,23,24,28)
InChIKeyQOOAXRQSCWSWQP-UHFFFAOYSA-N
XLogP2.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide (CID 119044309) is 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is QOOAXRQSCWSWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-13-12-27(19-15(21)3-2-4-16(19)22)25-18(13)20(28)24-17-6-5-14(11-23-17)26-7-9-29-10-8-26/h2-6,11-12H,7-10H2,1H3,(H,23,24,28).
What are the key properties of 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119044309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).