6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

C20H24N4 — CID 2035725

IUPAC6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCC1
InChIInChI=1S/C20H24N4/c1-4-17-14(2)21-19-18(16-10-6-5-7-11-16)15(3)22-24(19)20(17)23-12-8-9-13-23/h5-7,10-11H,4,8-9,12-13H2,1-3H3
InChIKeyHGYCGVOHLDICRQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.18
Rot. Bonds3

About 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine

6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 2035725) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID2035725
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCC1
InChIInChI=1S/C20H24N4/c1-4-17-14(2)21-19-18(16-10-6-5-7-11-16)15(3)22-24(19)20(17)23-12-8-9-13-23/h5-7,10-11H,4,8-9,12-13H2,1-3H3
InChIKeyHGYCGVOHLDICRQ-UHFFFAOYSA-N
XLogP4.18
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 7583080
7,11-dimethyl-3-pentan-3-yl-10-phenyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 22249833
[4-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3706685
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 665998
6-benzyl-N-cyclopentyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3830101
6-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22577462
6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822384
6-benzyl-N-hexyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4639358
6-benzyl-2,5-dimethyl-3-phenyl-7-prop-2-enylsulfanylpyrazolo[1,5-a]pyrimidine
CID 2023283
4-[2-(7,11-dimethyl-10-phenyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholin-4-ium
CID 7632059
4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 2035725) is 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCC1.
What is the InChIKey of 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HGYCGVOHLDICRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-4-17-14(2)21-19-18(16-10-6-5-7-11-16)15(3)22-24(19)20(17)23-12-8-9-13-23/h5-7,10-11H,4,8-9,12-13H2,1-3H3.
What are the key properties of 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine?
6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethyl-3-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2035725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).