N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C24H18Cl2F3N9O4 — CID 58047735

About N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 58047735) has the molecular formula C24H18Cl2F3N9O4 and a molecular weight of 624.37 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 58047735
• Molecular Formula: C24H18Cl2F3N9O4
• Molecular Weight: 624.37 g/mol
• Exact Mass: 623.08
• IUPAC Name: N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(Cl)cc(C(=O)N[C@@H]2CCOC2=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H18Cl2F3N9O4/c1-11-7-12(25)8-14(20(39)31-16-4-6-42-22(16)41)18(11)32-21(40)17-9-13(10-37-35-23(33-36-37)24(27,28)29)34-38(17)19-15(26)3-2-5-30-19/h2-3,5,7-9,16H,4,6,10H2,1H3,(H,31,39)(H,32,40)/t16-/m1/s1
• InChIKey: HPCRXRODIRUDLT-MRXNPFEDSA-N
• XLogP: 3.23
• TPSA: 158.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.37
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 58047735) is N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)N[C@@H]2CCOC2=O)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.

What is the InChIKey of N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is HPCRXRODIRUDLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H18Cl2F3N9O4/c1-11-7-12(25)8-14(20(39)31-16-4-6-42-22(16)41)18(11)32-21(40)17-9-13(10-37-35-23(33-36-37)24(27,28)29)34-38(17)19-15(26)3-2-5-30-19/h2-3,5,7-9,16H,4,6,10H2,1H3,(H,31,39)(H,32,40)/t16-/m1/s1.

What are the key properties of N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 624.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-[[(3R)-2-oxooxolan-3-yl]carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58047735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).