[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C14H18N4O — CID 129369364

IUPAC[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC(C)[C@@H]1CCCN1C(=O)c1cnn2cccnc12
InChIInChI=1S/C14H18N4O/c1-10(2)12-5-3-7-17(12)14(19)11-9-16-18-8-4-6-15-13(11)18/h4,6,8-10,12H,3,5,7H2,1-2H3/t12-/m0/s1
InChIKeyHUWDOHLRXSGXKF-LBPRGKRZSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds2

About [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 129369364) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID129369364
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC(C)[C@@H]1CCCN1C(=O)c1cnn2cccnc12
InChIInChI=1S/C14H18N4O/c1-10(2)12-5-3-7-17(12)14(19)11-9-16-18-8-4-6-15-13(11)18/h4,6,8-10,12H,3,5,7H2,1-2H3/t12-/m0/s1
InChIKeyHUWDOHLRXSGXKF-LBPRGKRZSA-N
XLogP1.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 20895587
[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113288616
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110223102
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97018374
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
pyrazolo[1,5-a]pyrimidin-3-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70725693
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 124982773

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 129369364) is [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CC(C)[C@@H]1CCCN1C(=O)c1cnn2cccnc12.
What is the InChIKey of [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is HUWDOHLRXSGXKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)12-5-3-7-17(12)14(19)11-9-16-18-8-4-6-15-13(11)18/h4,6,8-10,12H,3,5,7H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propan-2-ylpyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 129369364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).