N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H12ClFN6O2 — CID 162675827

IUPACN-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1c(F)cc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H12ClFN6O2/c1-27-15-10(5-9(18)6-12(15)19)14-13(8-21-24-14)23-17(26)11-7-22-25-4-2-3-20-16(11)25/h2-8H,1H3,(H,21,24)(H,23,26)
InChIKeySHNDOZSYOIZPOH-UHFFFAOYSA-N
MW386.77 g/mol
LogP3.17
Rot. Bonds4

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

N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162675827) has the molecular formula C17H12ClFN6O2 and a molecular weight of 386.77 g/mol. Its IUPAC name is N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162675827
Molecular FormulaC17H12ClFN6O2
Molecular Weight386.77 g/mol
Exact Mass386.07
IUPAC NameN-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1c(F)cc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H12ClFN6O2/c1-27-15-10(5-9(18)6-12(15)19)14-13(8-21-24-14)23-17(26)11-7-22-25-4-2-3-20-16(11)25/h2-8H,1H3,(H,21,24)(H,23,26)
InChIKeySHNDOZSYOIZPOH-UHFFFAOYSA-N
XLogP3.17
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162675827) is N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1c(F)cc(Cl)cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SHNDOZSYOIZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O2/c1-27-15-10(5-9(18)6-12(15)19)14-13(8-21-24-14)23-17(26)11-7-22-25-4-2-3-20-16(11)25/h2-8H,1H3,(H,21,24)(H,23,26).
What are the key properties of N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-3-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162675827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).