5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H31N7O2 — CID 165076569

IUPAC5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)n(C)n3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C23H31N7O2/c1-13(2)30-21(24)19(22(25)32)20(28-30)15-9-7-14(8-10-15)11-18(31)26-17-12-16(23(3,4)5)29(6)27-17/h7-10,12-13H,11,24H2,1-6H3,(H2,25,32)(H,26,27,31)
InChIKeyUZBFIYIEQOJMIV-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.02
Rot. Bonds6

About 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 165076569) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID165076569
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)n(C)n3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C23H31N7O2/c1-13(2)30-21(24)19(22(25)32)20(28-30)15-9-7-14(8-10-15)11-18(31)26-17-12-16(23(3,4)5)29(6)27-17/h7-10,12-13H,11,24H2,1-6H3,(H2,25,32)(H,26,27,31)
InChIKeyUZBFIYIEQOJMIV-UHFFFAOYSA-N
XLogP3.02
TPSA133.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 165076569) is 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)n(C)n3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UZBFIYIEQOJMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-13(2)30-21(24)19(22(25)32)20(28-30)15-9-7-14(8-10-15)11-18(31)26-17-12-16(23(3,4)5)29(6)27-17/h7-10,12-13H,11,24H2,1-6H3,(H2,25,32)(H,26,27,31).
What are the key properties of 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 165076569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).