3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride

C22H25ClN4O4 — CID 71087677

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)[nH]n2)cc1OC.Cl
InChIInChI=1S/C22H24N4O4.ClH/c1-28-19-8-5-15(11-20(19)29-2)17-12-18(26-25-17)22(27)24-16-6-3-14(4-7-16)21-13-23-9-10-30-21;/h3-8,11-12,21,23H,9-10,13H2,1-2H3,(H,24,27)(H,25,26);1H
InChIKeyLKRCLWQEAZHNNG-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.43
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride

3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 71087677) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID71087677
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)[nH]n2)cc1OC.Cl
InChIInChI=1S/C22H24N4O4.ClH/c1-28-19-8-5-15(11-20(19)29-2)17-12-18(26-25-17)22(27)24-16-6-3-14(4-7-16)21-13-23-9-10-30-21;/h3-8,11-12,21,23H,9-10,13H2,1-2H3,(H,24,27)(H,25,26);1H
InChIKeyLKRCLWQEAZHNNG-UHFFFAOYSA-N
XLogP3.43
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087965
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 175122999
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 87325728
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 71087677) is 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride is COc1ccc(-c2cc(C(=O)Nc3ccc(C4CNCCO4)cc3)[nH]n2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is LKRCLWQEAZHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4.ClH/c1-28-19-8-5-15(11-20(19)29-2)17-12-18(26-25-17)22(27)24-16-6-3-14(4-7-16)21-13-23-9-10-30-21;/h3-8,11-12,21,23H,9-10,13H2,1-2H3,(H,24,27)(H,25,26);1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride?
3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 444.92 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71087677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).