[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C14H19N5O2 — CID 110097965

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN(C)CC1(O)CCN(C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C14H19N5O2/c1-17(2)9-14(21)4-7-18(10-14)13(20)11-8-16-19-6-3-5-15-12(11)19/h3,5-6,8,21H,4,7,9-10H2,1-2H3
InChIKeyUJWWQRMQIGDBOM-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.13
Rot. Bonds3

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 110097965) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID110097965
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN(C)CC1(O)CCN(C(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C14H19N5O2/c1-17(2)9-14(21)4-7-18(10-14)13(20)11-8-16-19-6-3-5-15-12(11)19/h3,5-6,8,21H,4,7,9-10H2,1-2H3
InChIKeyUJWWQRMQIGDBOM-UHFFFAOYSA-N
XLogP-0.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 110097965) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CN(C)CC1(O)CCN(C(=O)c2cnn3cccnc23)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is UJWWQRMQIGDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17(2)9-14(21)4-7-18(10-14)13(20)11-8-16-19-6-3-5-15-12(11)19/h3,5-6,8,21H,4,7,9-10H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 289.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 110097965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).