6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H25N5O — CID 97256352

IUPAC6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C19H25N5O/c1-5-16-7-6-12(2)23(16)18(25)9-8-17-13(3)22-19-15(10-20)11-21-24(19)14(17)4/h11-12,16H,5-9H2,1-4H3/t12-,16-/m0/s1
InChIKeyAOBFEPPFODMEAW-LRDDRELGSA-N
MW339.44 g/mol
LogP2.94
Rot. Bonds4

About 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 97256352) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID97256352
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C19H25N5O/c1-5-16-7-6-12(2)23(16)18(25)9-8-17-13(3)22-19-15(10-20)11-21-24(19)14(17)4/h11-12,16H,5-9H2,1-4H3/t12-,16-/m0/s1
InChIKeyAOBFEPPFODMEAW-LRDDRELGSA-N
XLogP2.94
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 110888155
5,7-dimethyl-6-[3-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 86958228
5,7-dimethyl-6-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 55627104
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 46404551
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 46411974
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 55849136
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 98788083
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
4-[[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511149
5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 55626765
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55622817

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 97256352) is 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC[C@H]1CC[C@H](C)N1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is AOBFEPPFODMEAW-LRDDRELGSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-16-7-6-12(2)23(16)18(25)9-8-17-13(3)22-19-15(10-20)11-21-24(19)14(17)4/h11-12,16H,5-9H2,1-4H3/t12-,16-/m0/s1.
What are the key properties of 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2S,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 97256352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).