3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C22H25F2N5 — CID 163302551

IUPAC3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESC=C(c1c(F)ccc(C)c1F)N1CCCn2ncc(-c3[nH]ncc3C(C)CC)c21
InChIInChI=1S/C22H25F2N5/c1-5-13(2)16-11-25-27-21(16)17-12-26-29-10-6-9-28(22(17)29)15(4)19-18(23)8-7-14(3)20(19)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKeyYOKFNKMAAKEEKG-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.25
Rot. Bonds5

About 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 163302551) has the molecular formula C22H25F2N5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID163302551
Molecular FormulaC22H25F2N5
Molecular Weight397.47 g/mol
Exact Mass397.21
IUPAC Name3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESC=C(c1c(F)ccc(C)c1F)N1CCCn2ncc(-c3[nH]ncc3C(C)CC)c21
InChIInChI=1S/C22H25F2N5/c1-5-13(2)16-11-25-27-21(16)17-12-26-29-10-6-9-28(22(17)29)15(4)19-18(23)8-7-14(3)20(19)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKeyYOKFNKMAAKEEKG-UHFFFAOYSA-N
XLogP5.25
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazole 79
CID 23647348
US11583532, Example 2.2
CID 155792426
1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 89613944
N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51105193
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 53192111
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 53192334
3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
CID 56707458
CID 56740749
CID 56740749
3-methyl-6-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridazine
CID 56744043
1-[(4-Fluorophenyl)methyl]-5-(6-methylpyridazin-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56756519
1-[(1-ethylpyrazol-4-yl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 70731049
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196640

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 163302551) is 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is C=C(c1c(F)ccc(C)c1F)N1CCCn2ncc(-c3[nH]ncc3C(C)CC)c21.
What is the InChIKey of 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is YOKFNKMAAKEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5/c1-5-13(2)16-11-25-27-21(16)17-12-26-29-10-6-9-28(22(17)29)15(4)19-18(23)8-7-14(3)20(19)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 397.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163302551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).