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

C20H20FN5O2 — CID 73442097

IUPAC5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18/h1-8,11,18,23H,9-10,12,22H2,(H,25,27)/t18-/m1/s1
InChIKeyBHEYHAQKDMNMBT-GOSISDBHSA-N
MW381.41 g/mol
LogP2.51
Rot. Bonds4

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

5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442097) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442097
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18/h1-8,11,18,23H,9-10,12,22H2,(H,25,27)/t18-/m1/s1
InChIKeyBHEYHAQKDMNMBT-GOSISDBHSA-N
XLogP2.51
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442097) is 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is Nc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is BHEYHAQKDMNMBT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18/h1-8,11,18,23H,9-10,12,22H2,(H,25,27)/t18-/m1/s1.
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).