(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C15H21N5O2S — CID 97009956

IUPAC(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-19-7-12(6-16-19)5-11-3-4-20(8-11)15(21)18-14-17-13(9-22-2)10-23-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyBXYJJPUQLUHSLE-NSHDSACASA-N
MW335.43 g/mol
LogP2.12
Rot. Bonds5

About (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97009956) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97009956
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-19-7-12(6-16-19)5-11-3-4-20(8-11)15(21)18-14-17-13(9-22-2)10-23-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyBXYJJPUQLUHSLE-NSHDSACASA-N
XLogP2.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97003801
N-(4-methoxy-3-methylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865837
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
3-[(1-methylpyrazol-4-yl)methyl]-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71982810
N-(3-fluoro-4-methylsulfanylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71925253
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 98799655
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 100860601
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
3-[(1-methylpyrazol-4-yl)methyl]-N-[4-(5-oxo-1H-pyrazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 167798674
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 97009956) is (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is COCc1csc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)n1.
What is the InChIKey of (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BXYJJPUQLUHSLE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-19-7-12(6-16-19)5-11-3-4-20(8-11)15(21)18-14-17-13(9-22-2)10-23-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18,21)/t11-/m0/s1.
What are the key properties of (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97009956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).