N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17ClN4O2 — CID 96568623

IUPACN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1c(C)nn2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O2/c1-11-15(16-19-7-4-8-22(16)21-11)17(23)20-10-14(24-2)12-5-3-6-13(18)9-12/h3-9,14H,10H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyHFOKOKYQXXZGHZ-AWEZNQCLSA-N
MW344.80 g/mol
LogP2.81
Rot. Bonds5

About N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 96568623) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID96568623
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1c(C)nn2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O2/c1-11-15(16-19-7-4-8-22(16)21-11)17(23)20-10-14(24-2)12-5-3-6-13(18)9-12/h3-9,14H,10H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyHFOKOKYQXXZGHZ-AWEZNQCLSA-N
XLogP2.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568768
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
CID 124607627
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 96568623) is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CO[C@@H](CNC(=O)c1c(C)nn2cccnc12)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HFOKOKYQXXZGHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11-15(16-19-7-4-8-22(16)21-11)17(23)20-10-14(24-2)12-5-3-6-13(18)9-12/h3-9,14H,10H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 96568623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).