1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C22H22F2N4O3 — CID 73442267

IUPAC1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyLKMHVFCARFSXJY-HXUWFJFHSA-N
MW428.44 g/mol
LogP3.70
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442267) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442267
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyLKMHVFCARFSXJY-HXUWFJFHSA-N
XLogP3.70
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442267) is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is LKMHVFCARFSXJY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29)/t20-/m1/s1.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).