N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide

C19H17ClN6O2 — CID 176543592

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)C1=C2N=C=CC=CN2NC1
InChIInChI=1S/C19H17ClN6O2/c1-25-11-15(17(24-25)13-9-12(20)5-6-16(13)28-2)23-19(27)14-10-22-26-8-4-3-7-21-18(14)26/h3-6,8-9,11,22H,10H2,1-2H3,(H,23,27)
InChIKeyVCZXZJSWNXRTRA-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.47
Rot. Bonds4

About N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide (PubChem CID 176543592) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide
PubChem CID176543592
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)C1=C2N=C=CC=CN2NC1
InChIInChI=1S/C19H17ClN6O2/c1-25-11-15(17(24-25)13-9-12(20)5-6-16(13)28-2)23-19(27)14-10-22-26-8-4-3-7-21-18(14)26/h3-6,8-9,11,22H,10H2,1-2H3,(H,23,27)
InChIKeyVCZXZJSWNXRTRA-UHFFFAOYSA-N
XLogP2.47
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide with MolForge

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Related Compounds

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
CID 157090196
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CID 142427436
2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
CID 11361152
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CID 167113859
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-[3-(5-chloro-2-methoxyphenyl)-1-(3,3,3-trifluoroprop-1-enyl)pyrazol-4-yl]pyrazolo[1,5-c]pyrimidine-3-carboxamide
CID 70496819
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CID 16820968
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CID 70496643
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146786721
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide (CID 176543592) is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide is COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)C1=C2N=C=CC=CN2NC1.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide?
The InChIKey is VCZXZJSWNXRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-25-11-15(17(24-25)13-9-12(20)5-6-16(13)28-2)23-19(27)14-10-22-26-8-4-3-7-21-18(14)26/h3-6,8-9,11,22H,10H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 176543592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).