[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

C23H24FN5OS — CID 154835011

IUPAC[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
InChIInChI=1S/C23H24FN5OS/c1-13-18-11-20(31-23(18)29(27-13)12-16-6-8-17(24)9-7-16)22(30)28-10-4-5-19(28)21-14(2)25-26-15(21)3/h6-9,11,19H,4-5,10,12H2,1-3H3,(H,25,26)
InChIKeyZLWLEHRDKLJJEX-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.91
Rot. Bonds4

About [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone

[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (PubChem CID 154835011) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
PubChem CID154835011
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
InChIInChI=1S/C23H24FN5OS/c1-13-18-11-20(31-23(18)29(27-13)12-16-6-8-17(24)9-7-16)22(30)28-10-4-5-19(28)21-14(2)25-26-15(21)3/h6-9,11,19H,4-5,10,12H2,1-3H3,(H,25,26)
InChIKeyZLWLEHRDKLJJEX-UHFFFAOYSA-N
XLogP4.91
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The IUPAC name of [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone (CID 154835011) is [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The canonical SMILES for [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is Cc1n[nH]c(C)c1C1CCCN1C(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1.
What is the InChIKey of [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
The InChIKey is ZLWLEHRDKLJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-13-18-11-20(31-23(18)29(27-13)12-16-6-8-17(24)9-7-16)22(30)28-10-4-5-19(28)21-14(2)25-26-15(21)3/h6-9,11,19H,4-5,10,12H2,1-3H3,(H,25,26).
What are the key properties of [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone?
[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone has a molecular weight of 437.54 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 154835011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).