1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C24H20Cl3F2N9O2 — CID 59530116

IUPAC1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2nnc(C(F)F)n2)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C24H20Cl3F2N9O2/c1-11(12-4-5-12)31-23(39)15-7-13(25)8-17(27)19(15)32-24(40)18-9-14(10-37-35-21(20(28)29)33-36-37)34-38(18)22-16(26)3-2-6-30-22/h2-3,6-9,11-12,20H,4-5,10H2,1H3,(H,31,39)(H,32,40)
InChIKeyCCMYWCVYQPLBDJ-UHFFFAOYSA-N
MW610.84 g/mol
LogP4.98
Rot. Bonds9

About 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530116) has the molecular formula C24H20Cl3F2N9O2 and a molecular weight of 610.84 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID59530116
Molecular FormulaC24H20Cl3F2N9O2
Molecular Weight610.84 g/mol
Exact Mass609.08
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2nnc(C(F)F)n2)nn1-c1ncccc1Cl)C1CC1
InChIInChI=1S/C24H20Cl3F2N9O2/c1-11(12-4-5-12)31-23(39)15-7-13(25)8-17(27)19(15)32-24(40)18-9-14(10-37-35-21(20(28)29)33-36-37)34-38(18)22-16(26)3-2-6-30-22/h2-3,6-9,11-12,20H,4-5,10H2,1H3,(H,31,39)(H,32,40)
InChIKeyCCMYWCVYQPLBDJ-UHFFFAOYSA-N
XLogP4.98
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.84
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 59530116) is 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is CC(NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Cn2nnc(C(F)F)n2)nn1-c1ncccc1Cl)C1CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is CCMYWCVYQPLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3F2N9O2/c1-11(12-4-5-12)31-23(39)15-7-13(25)8-17(27)19(15)32-24(40)18-9-14(10-37-35-21(20(28)29)33-36-37)34-38(18)22-16(26)3-2-6-30-22/h2-3,6-9,11-12,20H,4-5,10H2,1H3,(H,31,39)(H,32,40).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 610.84 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(1-cyclopropylethylcarbamoyl)phenyl]-3-[[5-(difluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).