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

C19H16F2N6O2 — CID 162656118

IUPACN-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C19H16F2N6O2/c1-2-11-4-5-15(29-19(20)21)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-10,19H,2H2,1H3,(H,23,26)(H,25,28)
InChIKeyKYQCJGPWKAIKCS-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.54
Rot. Bonds6

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

N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162656118) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162656118
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC NameN-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C19H16F2N6O2/c1-2-11-4-5-15(29-19(20)21)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-10,19H,2H2,1H3,(H,23,26)(H,25,28)
InChIKeyKYQCJGPWKAIKCS-UHFFFAOYSA-N
XLogP3.54
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162656118) is N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(OC(F)F)c(-c2[nH]ncc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYQCJGPWKAIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-2-11-4-5-15(29-19(20)21)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-10,19H,2H2,1H3,(H,23,26)(H,25,28).
What are the key properties of N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162656118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).