N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

C17H23ClN8O — CID 154902517

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C.Cl
InChIInChI=1S/C17H22N8O.ClH/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13;/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26);1H
InChIKeyRVGSDTUFRQNZMG-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.02
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 154902517) has the molecular formula C17H23ClN8O and a molecular weight of 390.88 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
PubChem CID154902517
Molecular FormulaC17H23ClN8O
Molecular Weight390.88 g/mol
Exact Mass390.17
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C.Cl
InChIInChI=1S/C17H22N8O.ClH/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13;/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26);1H
InChIKeyRVGSDTUFRQNZMG-UHFFFAOYSA-N
XLogP1.02
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide;hydrochloride
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N-[3-(1H-imidazol-2-yl)cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
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N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 154902247
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91768343
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
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N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91777461
2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
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5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (CID 154902517) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is CN(C)Cc1nnc(C2CC(NC(=O)c3cc4ncccn4n3)C2)n1C.Cl.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is RVGSDTUFRQNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O.ClH/c1-23(2)10-15-20-21-16(24(15)3)11-7-12(8-11)19-17(26)13-9-14-18-5-4-6-25(14)22-13;/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,26);1H.
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154902517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).