6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H26N6O2 — CID 56718953

IUPAC6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC(C)C(=O)N(C)C)cnn2c1
InChIInChI=1S/C17H26N6O2/c1-6-22(7-2)10-13-8-18-15-14(9-19-23(15)11-13)16(24)20-12(3)17(25)21(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,24)
InChIKeySMIIEQJFBIOGRA-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.78
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56718953) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56718953
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NC(C)C(=O)N(C)C)cnn2c1
InChIInChI=1S/C17H26N6O2/c1-6-22(7-2)10-13-8-18-15-14(9-19-23(15)11-13)16(24)20-12(3)17(25)21(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,24)
InChIKeySMIIEQJFBIOGRA-UHFFFAOYSA-N
XLogP0.78
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56718953) is 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NC(C)C(=O)N(C)C)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMIIEQJFBIOGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-6-22(7-2)10-13-8-18-15-14(9-19-23(15)11-13)16(24)20-12(3)17(25)21(4)5/h8-9,11-12H,6-7,10H2,1-5H3,(H,20,24).
What are the key properties of 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56718953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).