5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C22H25N5O3 — CID 129247956

IUPAC5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C22H25N5O3/c1-13(2)27-20(23)18(21(24)28)19(26-27)15-10-8-14(9-11-15)12-25-22(29)16-6-4-5-7-17(16)30-3/h4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyOHINVJODFUZABY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.75
Rot. Bonds7

About 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 129247956) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID129247956
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C22H25N5O3/c1-13(2)27-20(23)18(21(24)28)19(26-27)15-10-8-14(9-11-15)12-25-22(29)16-6-4-5-7-17(16)30-3/h4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyOHINVJODFUZABY-UHFFFAOYSA-N
XLogP2.75
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 129247956) is 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OHINVJODFUZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)27-20(23)18(21(24)28)19(26-27)15-10-8-14(9-11-15)12-25-22(29)16-6-4-5-7-17(16)30-3/h4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29).
What are the key properties of 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 129247956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).