5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

C19H26N6 — CID 99946857

IUPAC5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC[C@H]3CCn3cccn3)c2n1
InChIInChI=1S/C19H26N6/c1-15-12-16(2)25-19(22-15)17(13-21-25)14-23-9-4-3-6-18(23)7-11-24-10-5-8-20-24/h5,8,10,12-13,18H,3-4,6-7,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyHCHBZKDVILXZPJ-SFHVURJKSA-N
MW338.46 g/mol
LogP2.99
Rot. Bonds5

About 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 99946857) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
PubChem CID99946857
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCCC[C@H]3CCn3cccn3)c2n1
InChIInChI=1S/C19H26N6/c1-15-12-16(2)25-19(22-15)17(13-21-25)14-23-9-4-3-6-18(23)7-11-24-10-5-8-20-24/h5,8,10,12-13,18H,3-4,6-7,9,11,14H2,1-2H3/t18-/m0/s1
InChIKeyHCHBZKDVILXZPJ-SFHVURJKSA-N
XLogP2.99
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(2S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(2-pyrazol-1-ylethyl)piperidine
CID 99948001
N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99945992
N,N-dimethyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 77092558
5,7-dimethyl-3-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 95119708
2-(furan-3-yl)-5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45194451
5-methyl-4-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 45192200
5-[(2R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95188083
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
[(5aS,8aR)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2,5,6,7,8,8a-hexahydrocyclopenta[b]azepin-5a-yl]-(4-methylpiperazin-1-yl)methanone
CID 92553350
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
methyl 4-[5-methyl-4-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-oxazol-2-yl]benzoate
CID 26336255

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine (CID 99946857) is 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCCC[C@H]3CCn3cccn3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is HCHBZKDVILXZPJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N6/c1-15-12-16(2)25-19(22-15)17(13-21-25)14-23-9-4-3-6-18(23)7-11-24-10-5-8-20-24/h5,8,10,12-13,18H,3-4,6-7,9,11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine?
5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 338.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 99946857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).