6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N5OS — CID 56749563

IUPAC6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1
InChIInChI=1S/C17H21N5OS/c1-3-21(4-2)10-14-8-18-16-15(9-20-22(16)11-14)17(23)19-7-13-5-6-24-12-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,23)
InChIKeyHNWWDTQSUPODPU-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.56
Rot. Bonds7

About 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56749563) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56749563
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1
InChIInChI=1S/C17H21N5OS/c1-3-21(4-2)10-14-8-18-16-15(9-20-22(16)11-14)17(23)19-7-13-5-6-24-12-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,23)
InChIKeyHNWWDTQSUPODPU-UHFFFAOYSA-N
XLogP2.56
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10329294, Example 120
CID 122516527
N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253427
US10329294, Example 141
CID 122516542
US10329294, Example 181
CID 122542271
6-bromo-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2982091
[4-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 36252958
[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 51120567
[4-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 53502048
[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 53531890
6-[(diethylamino)methyl]-N-[2-(2-thienyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56760315
2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134791552
2-(ethylamino)-N-methyl-N-(3-thienylmethyl)pyrimidine-5-carboxamide
CID 56740516

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56749563) is 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCc3ccsc3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HNWWDTQSUPODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-21(4-2)10-14-8-18-16-15(9-20-22(16)11-14)17(23)19-7-13-5-6-24-12-13/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,23).
What are the key properties of 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56749563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).