(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C14H18N4O — CID 87009980

IUPAC(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18N4O/c1-10-4-8-17(9-5-10)14(19)12-11(2)16-18-7-3-6-15-13(12)18/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyVRWXPBCEOTZQTP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 87009980) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID87009980
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18N4O/c1-10-4-8-17(9-5-10)14(19)12-11(2)16-18-7-3-6-15-13(12)18/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyVRWXPBCEOTZQTP-UHFFFAOYSA-N
XLogP1.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824146
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 86839792
(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124694636
(3,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 55967327
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 87044984
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 97026578
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 55966550

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 87009980) is (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1nn2cccnc2c1C(=O)N1CCC(C)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is VRWXPBCEOTZQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-8-17(9-5-10)14(19)12-11(2)16-18-7-3-6-15-13(12)18/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 87009980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).