1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide

C21H22N4O2 — CID 71088004

IUPAC1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C21H22N4O2/c1-25-19(13-18(24-25)15-5-3-2-4-6-15)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyQYURNBXHNZHFLQ-HXUWFJFHSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds4

About 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 71088004) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
PubChem CID71088004
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C21H22N4O2/c1-25-19(13-18(24-25)15-5-3-2-4-6-15)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyQYURNBXHNZHFLQ-HXUWFJFHSA-N
XLogP3.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide (CID 71088004) is 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is QYURNBXHNZHFLQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-19(13-18(24-25)15-5-3-2-4-6-15)21(26)23-17-9-7-16(8-10-17)20-14-22-11-12-27-20/h2-10,13,20,22H,11-12,14H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 71088004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).