N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13ClN4O3 — CID 66664748

IUPACN-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCCO)c1cnn2cccnc12
InChIInChI=1S/C15H13ClN4O3/c16-10-2-3-13(23-7-6-21)12(8-10)19-15(22)11-9-18-20-5-1-4-17-14(11)20/h1-5,8-9,21H,6-7H2,(H,19,22)
InChIKeyBZAAMMWCOJWKLQ-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.01
Rot. Bonds5

About N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664748) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664748
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC NameN-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCCO)c1cnn2cccnc12
InChIInChI=1S/C15H13ClN4O3/c16-10-2-3-13(23-7-6-21)12(8-10)19-15(22)11-9-18-20-5-1-4-17-14(11)20/h1-5,8-9,21H,6-7H2,(H,19,22)
InChIKeyBZAAMMWCOJWKLQ-UHFFFAOYSA-N
XLogP2.01
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[5-chloro-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056335
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496681
N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123366517
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[5-(5-chloro-2-methoxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131983030

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664748) is N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCCO)c1cnn2cccnc12.
What is the InChIKey of N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BZAAMMWCOJWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-10-2-3-13(23-7-6-21)12(8-10)19-15(22)11-9-18-20-5-1-4-17-14(11)20/h1-5,8-9,21H,6-7H2,(H,19,22).
What are the key properties of N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).