N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C20H23N3O2S — CID 95277110

IUPACN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2cc3c(C)nn(C)c3s2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-12-17-11-18(26-20(17)22(3)21-12)19(24)23(13(2)14-5-6-14)15-7-9-16(25-4)10-8-15/h7-11,13-14H,5-6H2,1-4H3/t13-/m1/s1
InChIKeyWHFOPKRWBIJRTC-CYBMUJFWSA-N
MW369.49 g/mol
LogP4.40
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 95277110) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID95277110
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2cc3c(C)nn(C)c3s2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C20H23N3O2S/c1-12-17-11-18(26-20(17)22(3)21-12)19(24)23(13(2)14-5-6-14)15-7-9-16(25-4)10-8-15/h7-11,13-14H,5-6H2,1-4H3/t13-/m1/s1
InChIKeyWHFOPKRWBIJRTC-CYBMUJFWSA-N
XLogP4.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 95277110) is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(N(C(=O)c2cc3c(C)nn(C)c3s2)[C@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WHFOPKRWBIJRTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-12-17-11-18(26-20(17)22(3)21-12)19(24)23(13(2)14-5-6-14)15-7-9-16(25-4)10-8-15/h7-11,13-14H,5-6H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 95277110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).