3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine

C14H20N4 — CID 143441111

IUPAC3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCN(C)CC2)Nc2c(C)cnn21
InChIInChI=1S/C14H20N4/c1-10-9-15-18-11(2)8-13(16-14(10)18)12-4-6-17(3)7-5-12/h8-9,12,16H,2,4-7H2,1,3H3
InChIKeyDZHSRRBCTOLVDY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds1

About 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine

3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine (PubChem CID 143441111) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine
PubChem CID143441111
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine
SMILESC=C1C=C(C2CCN(C)CC2)Nc2c(C)cnn21
InChIInChI=1S/C14H20N4/c1-10-9-15-18-11(2)8-13(16-14(10)18)12-4-6-17(3)7-5-12/h8-9,12,16H,2,4-7H2,1,3H3
InChIKeyDZHSRRBCTOLVDY-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 342
CID 137018378
US10118930, Example 265
CID 137018641
US10118930, Example 449
CID 137018714
ethene;1-[5-[(3E)-penta-1,3-dien-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenamine
CID 142866690
1-[5-[(3E)-penta-1,3-dien-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]ethenamine
CID 142866691
5-Cyclohexyl-4-methyl-7-methylidenepyrazolo[1,5-a]pyrimidine
CID 89058500
5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
CID 136607764
5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
CID 136607878
7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136992645
3-ethyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025657
3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025966
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine (CID 143441111) is 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine is C=C1C=C(C2CCN(C)CC2)Nc2c(C)cnn21.
What is the InChIKey of 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is DZHSRRBCTOLVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-9-15-18-11(2)8-13(16-14(10)18)12-4-6-17(3)7-5-12/h8-9,12,16H,2,4-7H2,1,3H3.
What are the key properties of 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine?
3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidene-5-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 143441111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).