N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15ClF2N6O3 — CID 167113859

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1=NC2=C(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)CNN2C=C1
InChIInChI=1S/C18H15ClF2N6O3/c1-29-14-4-5-27-16(25-14)11(7-23-27)17(28)24-12-8-22-26-15(12)10-6-9(19)2-3-13(10)30-18(20)21/h2-6,8,18,23H,7H2,1H3,(H,22,26)(H,24,28)
InChIKeyHRRHDGFSMPQXQX-UHFFFAOYSA-N
MW436.81 g/mol
LogP2.87
Rot. Bonds5

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167113859) has the molecular formula C18H15ClF2N6O3 and a molecular weight of 436.81 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167113859
Molecular FormulaC18H15ClF2N6O3
Molecular Weight436.81 g/mol
Exact Mass436.09
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1=NC2=C(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)CNN2C=C1
InChIInChI=1S/C18H15ClF2N6O3/c1-29-14-4-5-27-16(25-14)11(7-23-27)17(28)24-12-8-22-26-15(12)10-6-9(19)2-3-13(10)30-18(20)21/h2-6,8,18,23H,7H2,1H3,(H,22,26)(H,24,28)
InChIKeyHRRHDGFSMPQXQX-UHFFFAOYSA-N
XLogP2.87
TPSA103.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.81
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167113859) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1=NC2=C(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3OC(F)F)CNN2C=C1.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HRRHDGFSMPQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N6O3/c1-29-14-4-5-27-16(25-14)11(7-23-27)17(28)24-12-8-22-26-15(12)10-6-9(19)2-3-13(10)30-18(20)21/h2-6,8,18,23H,7H2,1H3,(H,22,26)(H,24,28).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167113859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).