N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C25H32FN5O3 — CID 166471021

IUPACN-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C(N)=O)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C25H32FN5O3/c1-13(2)31-20(10-11-28-31)24(33)30-22(21(15-4-5-15)16-6-7-16)25(34)29-19-9-8-17(12-18(19)26)14(3)23(27)32/h8-16,21-22H,4-7H2,1-3H3,(H2,27,32)(H,29,34)(H,30,33)
InChIKeyRVZXKXALULBCIZ-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.37
Rot. Bonds10

About N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166471021) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166471021
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC NameN-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C(N)=O)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C25H32FN5O3/c1-13(2)31-20(10-11-28-31)24(33)30-22(21(15-4-5-15)16-6-7-16)25(34)29-19-9-8-17(12-18(19)26)14(3)23(27)32/h8-16,21-22H,4-7H2,1-3H3,(H2,27,32)(H,29,34)(H,30,33)
InChIKeyRVZXKXALULBCIZ-UHFFFAOYSA-N
XLogP3.37
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166471021) is N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C(N)=O)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.
What is the InChIKey of N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is RVZXKXALULBCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-13(2)31-20(10-11-28-31)24(33)30-22(21(15-4-5-15)16-6-7-16)25(34)29-19-9-8-17(12-18(19)26)14(3)23(27)32/h8-16,21-22H,4-7H2,1-3H3,(H2,27,32)(H,29,34)(H,30,33).
What are the key properties of N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-amino-1-oxopropan-2-yl)-2-fluoroanilino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166471021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).