N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N4O2 — CID 95275467

IUPACN-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)23-11-13(2)20-17(22)15-10-19-21-9-3-8-18-16(15)21/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyANYWJIGZEOLUAD-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.24
Rot. Bonds5

About N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95275467) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID95275467
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(OC[C@H](C)NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)23-11-13(2)20-17(22)15-10-19-21-9-3-8-18-16(15)21/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyANYWJIGZEOLUAD-ZDUSSCGKSA-N
XLogP2.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 94001412
N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52504731
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52534736
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
CID 120703114
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
CID 66464126
methyl (2S)-2-methyl-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoate
CID 94795811
N-[[2-(phenoxymethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977011
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95275467) is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(OC[C@H](C)NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ANYWJIGZEOLUAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)23-11-13(2)20-17(22)15-10-19-21-9-3-8-18-16(15)21/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95275467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).