2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol

C20H31N5O — CID 95867727

IUPAC2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol
SMILESCCc1cc(N2CCN(CC3CC3)[C@H](CCO)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H31N5O/c1-4-17-11-19(25-20(21-17)14(2)15(3)22-25)24-9-8-23(12-16-5-6-16)18(13-24)7-10-26/h11,16,18,26H,4-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyVUCTWIXYRNOVPH-GOSISDBHSA-N
MW357.50 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol

2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol (PubChem CID 95867727) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol
PubChem CID95867727
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol
SMILESCCc1cc(N2CCN(CC3CC3)[C@H](CCO)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H31N5O/c1-4-17-11-19(25-20(21-17)14(2)15(3)22-25)24-9-8-23(12-16-5-6-16)18(13-24)7-10-26/h11,16,18,26H,4-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyVUCTWIXYRNOVPH-GOSISDBHSA-N
XLogP2.19
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol (CID 95867727) is 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol is CCc1cc(N2CCN(CC3CC3)[C@H](CCO)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol?
The InChIKey is VUCTWIXYRNOVPH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N5O/c1-4-17-11-19(25-20(21-17)14(2)15(3)22-25)24-9-8-23(12-16-5-6-16)18(13-24)7-10-26/h11,16,18,26H,4-10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol?
2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol has a molecular weight of 357.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95867727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).