1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C26H30N4O4S — CID 90656830

IUPAC1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(CC3CC3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-3-8-21(9-4-18)25-23(17-29(28-25)16-20-6-7-20)26(31)27-22-10-5-19(2)24(15-22)35(32,33)30-11-13-34-14-12-30/h3-5,8-10,15,17,20H,6-7,11-14,16H2,1-2H3,(H,27,31)
InChIKeyDMUJJCKLGDNGSE-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.85
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 90656830) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID90656830
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(CC3CC3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-3-8-21(9-4-18)25-23(17-29(28-25)16-20-6-7-20)26(31)27-22-10-5-19(2)24(15-22)35(32,33)30-11-13-34-14-12-30/h3-5,8-10,15,17,20H,6-7,11-14,16H2,1-2H3,(H,27,31)
InChIKeyDMUJJCKLGDNGSE-UHFFFAOYSA-N
XLogP3.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 90656830) is 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(CC3CC3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DMUJJCKLGDNGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-3-8-21(9-4-18)25-23(17-29(28-25)16-20-6-7-20)26(31)27-22-10-5-19(2)24(15-22)35(32,33)30-11-13-34-14-12-30/h3-5,8-10,15,17,20H,6-7,11-14,16H2,1-2H3,(H,27,31).
What are the key properties of 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90656830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).