N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17ClN4O2 — CID 96568768

IUPACN-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c1-11(24-14-6-4-13(18)5-7-14)10-20-17(23)15-12(2)21-22-9-3-8-19-16(15)22/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyGEAHZDCORNFHPT-NSHDSACASA-N
MW344.80 g/mol
LogP2.89
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 96568768) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID96568768
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c1-11(24-14-6-4-13(18)5-7-14)10-20-17(23)15-12(2)21-22-9-3-8-19-16(15)22/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyGEAHZDCORNFHPT-NSHDSACASA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623
N-[3-(4-chlorophenoxy)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87029251
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
2-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822964
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 71992450
N-[(1-hydroxycyclopentyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111333145
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641
N-(3-hydroxybutyl)-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111695429

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 96568768) is N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GEAHZDCORNFHPT-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-11(24-14-6-4-13(18)5-7-14)10-20-17(23)15-12(2)21-22-9-3-8-19-16(15)22/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 96568768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).