[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C15H21N5O — CID 119485616

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCC(CN)C3)c2n1
InChIInChI=1S/C15H21N5O/c1-9-6-10(2)20-14(17-9)13(11(3)18-20)15(21)19-5-4-12(7-16)8-19/h6,12H,4-5,7-8,16H2,1-3H3
InChIKeyVYPVBXAOBSYESY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.08
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 119485616) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID119485616
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCC(CN)C3)c2n1
InChIInChI=1S/C15H21N5O/c1-9-6-10(2)20-14(17-9)13(11(3)18-20)15(21)19-5-4-12(7-16)8-19/h6,12H,4-5,7-8,16H2,1-3H3
InChIKeyVYPVBXAOBSYESY-UHFFFAOYSA-N
XLogP1.08
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119423559
(3-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119379880
(4-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119375224
(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 75461979
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120808275
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 162634235
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone;hydrochloride
CID 120808274
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 155501888
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 56716525
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 118784344

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 119485616) is [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2nc(C)c(C(=O)N3CCC(CN)C3)c2n1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is VYPVBXAOBSYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-6-10(2)20-14(17-9)13(11(3)18-20)15(21)19-5-4-12(7-16)8-19/h6,12H,4-5,7-8,16H2,1-3H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 119485616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).