3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide

C21H21FN4O2 — CID 71105844

IUPAC3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1
InChIInChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-2-6-16(22)7-3-14)21(27)24-17-8-4-15(5-9-17)20-13-23-10-11-28-20/h2-9,12,20,23H,10-11,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyDNVVPWBKSLZGRU-FQEVSTJZSA-N
MW380.42 g/mol
LogP3.14
Rot. Bonds4

About 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 71105844) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID71105844
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1
InChIInChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-2-6-16(22)7-3-14)21(27)24-17-8-4-15(5-9-17)20-13-23-10-11-28-20/h2-9,12,20,23H,10-11,13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyDNVVPWBKSLZGRU-FQEVSTJZSA-N
XLogP3.14
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide (CID 71105844) is 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is DNVVPWBKSLZGRU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-26-19(12-18(25-26)14-2-6-16(22)7-3-14)21(27)24-17-8-4-15(5-9-17)20-13-23-10-11-28-20/h2-9,12,20,23H,10-11,13H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71105844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).