3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide

C19H20FN5O2 — CID 71808511

IUPAC3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nn(C)c2c1COCC2
InChIInChI=1S/C19H20FN5O2/c1-24-17-7-8-27-11-14(17)16(23-24)10-21-19(26)18-9-15(22-25(18)2)12-3-5-13(20)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,26)
InChIKeyKCIXATCTPQJTDJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.96
Rot. Bonds4

About 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 71808511) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID71808511
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nn(C)c2c1COCC2
InChIInChI=1S/C19H20FN5O2/c1-24-17-7-8-27-11-14(17)16(23-24)10-21-19(26)18-9-15(22-25(18)2)12-3-5-13(20)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,26)
InChIKeyKCIXATCTPQJTDJ-UHFFFAOYSA-N
XLogP1.96
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide (CID 71808511) is 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nn(C)c2c1COCC2.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is KCIXATCTPQJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24-17-7-8-27-11-14(17)16(23-24)10-21-19(26)18-9-15(22-25(18)2)12-3-5-13(20)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,26).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71808511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).