5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C18H17N5S — CID 56911664

IUPAC5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2scnc2-c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H17N5S/c1-2-14-10-17(23-16(22-14)8-9-21-23)19-11-15-18(20-12-24-15)13-6-4-3-5-7-13/h3-10,12,19H,2,11H2,1H3
InChIKeyZBWPTVGYFLGZCI-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.03
Rot. Bonds5

About 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56911664) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56911664
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2scnc2-c2ccccc2)n2nccc2n1
InChIInChI=1S/C18H17N5S/c1-2-14-10-17(23-16(22-14)8-9-21-23)19-11-15-18(20-12-24-15)13-6-4-3-5-7-13/h3-10,12,19H,2,11H2,1H3
InChIKeyZBWPTVGYFLGZCI-UHFFFAOYSA-N
XLogP4.03
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
5-ethyl-N-[[4-[4-(2H-tetrazol-5-yl)furan-3-yl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 57222528
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95869952
5-phenyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56899654
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895210
5-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70785677
5-[[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 70772498
5-N,5-N-dimethyl-6-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25298398

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56911664) is 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2scnc2-c2ccccc2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZBWPTVGYFLGZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-2-14-10-17(23-16(22-14)8-9-21-23)19-11-15-18(20-12-24-15)13-6-4-3-5-7-13/h3-10,12,19H,2,11H2,1H3.
What are the key properties of 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56911664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).