N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H19F2N7O3 — CID 164730024

About N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164730024) has the molecular formula C24H19F2N7O3 and a molecular weight of 491.46 g/mol. Its IUPAC name is N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164730024
• Molecular Formula: C24H19F2N7O3
• Molecular Weight: 491.46 g/mol
• Exact Mass: 491.15
• IUPAC Name: N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: NCc1ccccc1Oc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
• InChI: InChI=1S/C24H19F2N7O3/c25-24(26)36-20-7-6-15(35-19-5-2-1-4-14(19)11-27)10-16(20)21-18(13-29-32-21)31-23(34)17-12-30-33-9-3-8-28-22(17)33/h1-10,12-13,24H,11,27H2,(H,29,32)(H,31,34)
• InChIKey: YSZOPTPLQPRRRF-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 132.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.46
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164730024) is N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NCc1ccccc1Oc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.

What is the InChIKey of N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YSZOPTPLQPRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O3/c25-24(26)36-20-7-6-15(35-19-5-2-1-4-14(19)11-27)10-16(20)21-18(13-29-32-21)31-23(34)17-12-30-33-9-3-8-28-22(17)33/h1-10,12-13,24H,11,27H2,(H,29,32)(H,31,34).

What are the key properties of N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164730024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).