N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H18N4O2 — CID 95200016

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc([C@H](C)N(C)C(=O)c2cc3ncccn3n2)c1
InChIInChI=1S/C17H18N4O2/c1-12(13-6-4-7-14(10-13)23-3)20(2)17(22)15-11-16-18-8-5-9-21(16)19-15/h4-12H,1-3H3/t12-/m0/s1
InChIKeyMAIYGNFEPDJQKA-LBPRGKRZSA-N
MW310.36 g/mol
LogP2.57
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 95200016) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID95200016
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc([C@H](C)N(C)C(=O)c2cc3ncccn3n2)c1
InChIInChI=1S/C17H18N4O2/c1-12(13-6-4-7-14(10-13)23-3)20(2)17(22)15-11-16-18-8-5-9-21(16)19-15/h4-12H,1-3H3/t12-/m0/s1
InChIKeyMAIYGNFEPDJQKA-LBPRGKRZSA-N
XLogP2.57
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42192580
5-[(4-acetylphenoxy)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 45174646
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55538549
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71937920
N-[(1S)-1-(3-methoxyphenyl)ethyl]imidazole-1-carboxamide
CID 81373091
[(3R)-6-methoxy-3-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 92598614
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 91762891

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 95200016) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc([C@H](C)N(C)C(=O)c2cc3ncccn3n2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MAIYGNFEPDJQKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(13-6-4-7-14(10-13)23-3)20(2)17(22)15-11-16-18-8-5-9-21(16)19-15/h4-12H,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 95200016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).