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

C21H22N4O2 — CID 71087734

IUPAC1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)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
InChIKeyYSQWLFOWWSJZFH-HXUWFJFHSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds4

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

1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 71087734) 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]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
PubChem CID71087734
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)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
InChIKeyYSQWLFOWWSJZFH-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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Related Compounds

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CID 126665753
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CID 71087333
CID 71087333
CID 71087925
CID 71087925
CID 71112268
CID 71112268
CID 71112455
CID 71112455
CID 71112658
CID 71112658
CID 73425668
CID 73425668
CID 73425670
CID 73425670

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide (CID 71087734) is 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is YSQWLFOWWSJZFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-19(15-5-3-2-4-6-15)13-18(24-25)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]-5-phenylpyrazole-3-carboxamide?
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-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]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71087734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).