7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride

C15H20ClF3N4O2 — CID 137026251

IUPAC7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(CCC(F)(F)F)nn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C15H19F3N4O2.ClH/c16-15(17,18)5-1-10-12(14(23)24)13-20-8-4-11(22(13)21-10)9-2-6-19-7-3-9;/h4,9,19-20H,1-3,5-8H2,(H,23,24);1H
InChIKeyBHOSGQHHQPTZDE-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.76
Rot. Bonds4

About 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride

7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride (PubChem CID 137026251) has the molecular formula C15H20ClF3N4O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
PubChem CID137026251
Molecular FormulaC15H20ClF3N4O2
Molecular Weight380.80 g/mol
Exact Mass380.12
IUPAC Name7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(CCC(F)(F)F)nn2c1NCC=C2C1CCNCC1
InChIInChI=1S/C15H19F3N4O2.ClH/c16-15(17,18)5-1-10-12(14(23)24)13-20-8-4-11(22(13)21-10)9-2-6-19-7-3-9;/h4,9,19-20H,1-3,5-8H2,(H,23,24);1H
InChIKeyBHOSGQHHQPTZDE-UHFFFAOYSA-N
XLogP2.76
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride (CID 137026251) is 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1c(CCC(F)(F)F)nn2c1NCC=C2C1CCNCC1.
What is the InChIKey of 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
The InChIKey is BHOSGQHHQPTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2.ClH/c16-15(17,18)5-1-10-12(14(23)24)13-20-8-4-11(22(13)21-10)9-2-6-19-7-3-9;/h4,9,19-20H,1-3,5-8H2,(H,23,24);1H.
What are the key properties of 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride?
7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride has a molecular weight of 380.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-2-(3,3,3-trifluoropropyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 137026251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).