3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

C14H22ClN5O — CID 137025966

IUPAC3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10;/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20);1H
InChIKeyCVELNYZJGBJNIF-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.97
Rot. Bonds3

About 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride

3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137025966) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137025966
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10;/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20);1H
InChIKeyCVELNYZJGBJNIF-UHFFFAOYSA-N
XLogP0.97
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137025966) is 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is CN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is CVELNYZJGBJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10;/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20);1H.
What are the key properties of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride?
3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137025966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).