(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C20H23N5OS — CID 25366570

IUPAC(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYINMZBDGCWDGOK-IBGZPJMESA-N
MW381.51 g/mol
LogP3.63
Rot. Bonds6

About (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 25366570) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID25366570
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYINMZBDGCWDGOK-IBGZPJMESA-N
XLogP3.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 25366570) is (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is CCn1cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1.
What is the InChIKey of (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YINMZBDGCWDGOK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-25-12-15(10-22-25)11-24-9-3-4-19(24)20(26)23-17-7-5-16(6-8-17)18-13-27-14-21-18/h5-8,10,12-14,19H,2-4,9,11H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25366570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).