1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C21H28N6O — CID 110218887

IUPAC1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC1c1ccnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H28N6O/c1-15-7-11-23-26(15)13-9-20(28)25-12-5-6-16(25)17-8-10-22-19-14-18(21(2,3)4)24-27(17)19/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3
InChIKeyMEEUYCPYCDNTTF-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 110218887) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID110218887
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC1c1ccnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H28N6O/c1-15-7-11-23-26(15)13-9-20(28)25-12-5-6-16(25)17-8-10-22-19-14-18(21(2,3)4)24-27(17)19/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3
InChIKeyMEEUYCPYCDNTTF-UHFFFAOYSA-N
XLogP3.29
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92585275
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110105585
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
3-(5-methylpyrazol-1-yl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 118741797
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
2-tert-butyl-7-[1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110218904
3-(5-methylpyrazol-1-yl)-1-[(1S,12S)-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl]propan-1-one
CID 98062404
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
tert-butyl 3-(5-methylpyrazol-1-yl)propanoate
CID 116662728
3-(5-methylpyrazol-1-yl)-1-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 110245114

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 110218887) is 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCCC1c1ccnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is MEEUYCPYCDNTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-7-11-23-26(15)13-9-20(28)25-12-5-6-16(25)17-8-10-22-19-14-18(21(2,3)4)24-27(17)19/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 380.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 110218887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).